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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OC(C)C)C

InChI

InChI=1S/C26H39N3O3S/c1-9-29-18(5)22(24(31)32-16(2)3)23(28-25(29)33)19-11-10-12-20(14-19)27-21(30)13-17(4)15-26(6,7)8/h10-12,14,16-17,23H,9,13,15H2,1-8H3,(H,27,30)(H,28,33)