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

Systemtic Name: 2-methylpropyl 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-(4-tert-butylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O2S/c1-12(2)11-24-18(23)16-13(3)21-19(25)22-17(16)14-7-9-15(10-8-14)20(4,5)6/h7-10,12,17H,11H2,1-6H3,(H2,21,22,25)