2-methylpropyl 3,4-dimethyl-2-sulfanylidene-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 3,4-dimethyl-2-sulfanylidene-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3,4-dimethyl-2-thioxo-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-2-sulfanylidene-6-[3-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,4-dimethyl-2-sulfanylidene-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-2-thioxo-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C26H39N3O3S MolecularWeight: 473.67116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OCC(C)C

InChI

InChI=1S/C26H39N3O3S/c1-16(2)15-32-24(31)22-18(4)29(8)25(33)28-23(22)19-10-9-11-20(13-19)27-21(30)12-17(3)14-26(5,6)7/h9-11,13,16-17,23H,12,14-15H2,1-8H3,(H,27,30)(H,28,33)