5-[(4-methoxy-3-methyl-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate

Systemtic Name: 5-[(4-methoxy-3-methyl-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate Openeye Name: 5-[(4-methoxy-3-methyl-phenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidin-6-olate CAS Name: 5-[(4-methoxy-3-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate IUPAC Name: 5-[(4-methoxy-3-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate Traditional Name: 4-keto-5-(4-methoxy-3-methyl-benzyl)-2-thioxo-1H-pyrimidin-6-olate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(NC(=S)NC2=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(NC(=S)NC2=O)[O-])OC

InChI

InChI=1S/C13H14N2O3S/c1-7-5-8(3-4-10(7)18-2)6-9-11(16)14-13(19)15-12(9)17/h3-5H,6H2,1-2H3,(H3,14,15,16,17,19)/p-1