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

Systemtic Name: 2-methylpropyl 6-[3-(3-cyclopentylpropanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[3-(3-cyclopentylpropanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[(3-cyclopentyl-1-oxopropyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[3-(3-cyclopentylpropanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(3-cyclopentylpropanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C25H35N3O3S MolecularWeight: 457.6287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CCC3CCCC3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)CCC3CCCC3)C(=O)OCC(C)C

InChI

InChI=1S/C25H35N3O3S/c1-16(2)15-31-24(30)22-17(3)28(4)25(32)27-23(22)19-10-7-11-20(14-19)26-21(29)13-12-18-8-5-6-9-18/h7,10-11,14,16,18,23H,5-6,8-9,12-13,15H2,1-4H3,(H,26,29)(H,27,32)