tert-butyl 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: tert-butyl 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 6-methyl-4-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H22N2O2S/c1-10-6-8-12(9-7-10)14-13(11(2)18-16(22)19-14)15(20)21-17(3,4)5/h6-9,14H,1-5H3,(H2,18,19,22)