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

Systemtic Name: ethyl 3-ethyl-4-methyl-2-sulfanylidene-6-[3-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H37N3O3S MolecularWeight: 459.64458

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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)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O3S/c1-8-28-17(4)21(23(30)31-9-2)22(27-24(28)32)18-11-10-12-19(14-18)26-20(29)13-16(3)15-25(5,6)7/h10-12,14,16,22H,8-9,13,15H2,1-7H3,(H,26,29)(H,27,32)