methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(propargylamino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCC#C

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC(=O)NCC#C

InChI

InChI=1S/C12H13N3O4S/c1-3-4-13-10(17)7-20-12-14-8(5-9(16)15-12)6-11(18)19-2/h1,5H,4,6-7H2,2H3,(H,13,17)(H,14,15,16)