methyl (E)-4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]but-2-enoate

Systemtic Name: methyl (E)-4-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]but-2-enoate Openeye Name: methyl (E)-4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]but-2-enoate CAS Name: (E)-4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]but-2-enoate Traditional Name: (E)-4-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]but-2-enoic acid methyl ester Formula: C9H11N3O3S MolecularWeight: 241.26694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCSC1=NC(=O)C=C(N1)N

Isomeric SMILES

COC(=O)/C=C/CSC1=NC(=O)C=C(N1)N

InChI

InChI=1S/C9H11N3O3S/c1-15-8(14)3-2-4-16-9-11-6(10)5-7(13)12-9/h2-3,5H,4H2,1H3,(H3,10,11,12,13)/b3-2+