5-butyl-3-(3,4-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-butyl-3-(3,4-dimethylphenyl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-butyl-3-(3,4-dimethylphenyl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 5-butyl-3-(3,4-dimethylphenyl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-butyl-3-(3,4-dimethylphenyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 5-butyl-3-(3,4-dimethylphenyl)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C16H19N2O2S- MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=S)NC1=O)C2=CC(=C(C=C2)C)C)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=S)NC1=O)C2=CC(=C(C=C2)C)C)[O-]

InChI

InChI=1S/C16H20N2O2S/c1-4-5-6-13-14(19)17-16(21)18(15(13)20)12-8-7-10(2)11(3)9-12/h7-9,20H,4-6H2,1-3H3,(H,17,19,21)/p-1