dimethyl (Z)-2-[(6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)amino]but-2-enedioate

Systemtic Name: dimethyl (Z)-2-[(6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)amino]but-2-enedioate Openeye Name: dimethyl (Z)-2-[(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)amino]but-2-enedioate CAS Name: (Z)-2-[[6-amino-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]amino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)amino]but-2-enedioate Traditional Name: (Z)-2-[[6-amino-4-keto-2-(methylthio)-1H-pyrimidin-5-yl]amino]but-2-enedioic acid dimethyl ester Formula: C11H14N4O5S MolecularWeight: 314.31766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)NC1=C(NC(=NC1=O)SC)N

Isomeric SMILES

COC(=O)/C=C(/C(=O)OC)\NC1=C(NC(=NC1=O)SC)N

InChI

InChI=1S/C11H14N4O5S/c1-19-6(16)4-5(10(18)20-2)13-7-8(12)14-11(21-3)15-9(7)17/h4,13H,1-3H3,(H3,12,14,15,17)/b5-4-