4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-benzyl-4-oxo-2-thioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-benzyl-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-benzyl-4-keto-2-thioxo-1H-pyrimidine-5-carboxylic acid Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C(=CNC2=S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C(=CNC2=S)C(=O)O

InChI

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