4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-6-carboxylic acid Openeye Name: 2-benzylsulfanyl-4-oxo-1H-pyrimidine-6-carboxylic acid CAS Name: 4-oxo-2-(phenylmethylthio)-1H-pyrimidine-6-carboxylic acid IUPAC Name: 2-benzylsulfanyl-4-oxo-1H-pyrimidine-6-carboxylic acid Traditional Name: 2-(benzylthio)-4-keto-1H-pyrimidine-6-carboxylic acid Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C(=O)O

InChI

InChI=1S/C12H10N2O3S/c15-10-6-9(11(16)17)13-12(14-10)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17)(H,13,14,15)