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

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-6-[3-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-4-methyl-6-[3-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[3-[(1-oxo-2-phenylbutyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-6-[3-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[3-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OCC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OCC(C)C

InChI

InChI=1S/C28H35N3O3S/c1-6-23(20-12-9-8-10-13-20)26(32)29-22-15-11-14-21(16-22)25-24(27(33)34-17-18(3)4)19(5)31(7-2)28(35)30-25/h8-16,18,23,25H,6-7,17H2,1-5H3,(H,29,32)(H,30,35)