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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(NC(=S)NC2=O)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(NC(=S)NC2=O)C#N)O

InChI

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