1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine

CHEBI:43060 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A pyrimidone that is thymine which is substituted at positions 1 and 6 by a (2-hydroxyethoxy)methyl group and a phenylsulfanyl group, respectively. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:15734 CHEBI:15734
CHEBI:35683 CHEBI:35683
CHEBI:38337 CHEBI:38337

Chemical structure

Computed structure properties
Molecular formula	C14H16N2O4S
Charge	0
Average mass	308.359 Da
Monoisotopic mass	308.08308 Da
Source	ChEBI
InChIKey	HDMHBHNRWDNNCD-UHFFFAOYSA-N

SMILES

Cc1c(Sc2ccccc2)n(COCCO)c(=O)nc1=O

InChI

InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)

Also called

1-[(2-hydroxyethoxy)methyl]-5-methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione (EXACT_SYNONYM)— chebi
1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE (EXACT_SYNONYM)— chebi
1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (EXACT_SYNONYM)— chebi
1-[(2-hydroxyethoxy)methyl]-6-phenylthiothymine (EXACT_SYNONYM)— chebi
6-Hept (EXACT_SYNONYM)— chebi
HEPT (EXACT_SYNONYM)— chebi
HMPTT (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:123027-56-5
pdb-ccd:HEF
reaxys:4271052

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:36044 CHEBI:36044
CHEBI:53756 CHEBI:53756

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:43060`	1-[(2-hydroxyethoxy)methyl]-6-(phenylsulfanyl)thymine	`antibioticmech:chebi-cff3e50e11`	2026-08-30

Mechanism summary

Mode of action: VIRAL_POLYMERASE_INHIBITION microbial target — Assigned from ChEBI role CHEBI:53756 (HIV-1 reverse transcriptase inhibitor). ChEBI asserts the role on the compound. The role names a target specific to the microbe or virus — see mode_of_action_target_scope. Not a curator's mechanistic review.

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.