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

Systemtic Name: tert-butyl 4-(2,3-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: tert-butyl 4-(2,3-dimethylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(2,3-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2,3-dimethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(2,3-dimethylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid tert-butyl ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2C(=C(NC(=S)N2)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1C)C2C(=C(NC(=S)N2)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H24N2O2S/c1-10-8-7-9-13(11(10)2)15-14(12(3)19-17(23)20-15)16(21)22-18(4,5)6/h7-9,15H,1-6H3,(H2,19,20,23)