6-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-hydroxy-3-methoxy-phenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-hydroxy-3-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-hydroxy-3-methoxy-phenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C(=O)NC(=S)N2)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C(=O)NC(=S)N2)C#N)O

InChI

InChI=1S/C12H9N3O3S/c1-18-9-4-6(2-3-8(9)16)10-7(5-13)11(17)15-12(19)14-10/h2-4,16H,1H3,(H2,14,15,17,19)