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

Systemtic Name: dimethyl (Z)-2-[(4-azanyl-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-5-yl)amino]but-2-enedioate Openeye Name: dimethyl (Z)-2-[(4-amino-1-methyl-2-methylsulfanyl-6-oxo-pyrimidin-5-yl)amino]but-2-enedioate CAS Name: (Z)-2-[[4-amino-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinyl]amino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-[(4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)amino]but-2-enedioate Traditional Name: (Z)-2-[[4-amino-6-keto-1-methyl-2-(methylthio)pyrimidin-5-yl]amino]but-2-enedioic acid dimethyl ester Formula: C12H16N4O5S MolecularWeight: 328.34424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N=C1SC)N)NC(=CC(=O)OC)C(=O)OC

Isomeric SMILES

CN1C(=O)C(=C(N=C1SC)N)N/C(=C\C(=O)OC)/C(=O)OC

InChI

InChI=1S/C12H16N4O5S/c1-16-10(18)8(9(13)15-12(16)22-4)14-6(11(19)21-3)5-7(17)20-2/h5,14H,13H2,1-4H3/b6-5-