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

Systemtic Name: ethyl 3,4-dimethyl-2-sulfanylidene-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-2-thioxo-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-2-sulfanylidene-6-[4-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-2-sulfanylidene-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-2-thioxo-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H35N3O3S MolecularWeight: 445.618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C)C)C

InChI

InChI=1S/C24H35N3O3S/c1-8-30-22(29)20-16(3)27(7)23(31)26-21(20)17-9-11-18(12-10-17)25-19(28)13-15(2)14-24(4,5)6/h9-12,15,21H,8,13-14H2,1-7H3,(H,25,28)(H,26,31)