6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-methyl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-7-9(11(15)16)10(14-12(17)13-7)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,15,16)(H2,13,14,17)