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

Systemtic Name: dimethyl (Z)-2-(4-azanyl-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidin-5-yl)but-2-enedioate Openeye Name: dimethyl (Z)-2-(4-amino-1-methyl-2-methylsulfanyl-6-oxo-pyrimidin-5-yl)but-2-enedioate CAS Name: (Z)-2-[4-amino-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (Z)-2-(4-amino-1-methyl-2-methylsulfanyl-6-oxopyrimidin-5-yl)but-2-enedioate Traditional Name: (Z)-2-[4-amino-6-keto-1-methyl-2-(methylthio)pyrimidin-5-yl]but-2-enedioic acid dimethyl ester Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O5S/c1-15-10(17)8(9(13)14-12(15)21-4)6(11(18)20-3)5-7(16)19-2/h5H,13H2,1-4H3/b6-5-