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

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-2-sulfanylidene-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-4-methyl-2-thioxo-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-2-sulfanylidene-6-[4-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-2-sulfanylidene-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-2-thioxo-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H41N3O3S MolecularWeight: 487.69774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O3S/c1-9-30-19(5)23(25(32)33-16-17(2)3)24(29-26(30)34)20-10-12-21(13-11-20)28-22(31)14-18(4)15-27(6,7)8/h10-13,17-18,24H,9,14-16H2,1-8H3,(H,28,31)(H,29,34)