propan-2-yl 3-butyl-4-methyl-2-oxidanylidene-6-[3-(propanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-butyl-4-methyl-2-oxidanylidene-6-[3-(propanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-butyl-4-methyl-2-oxo-6-[3-(propanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[3-(1-oxopropylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-butyl-4-methyl-2-oxo-6-[3-(propanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-(3-propionamidophenyl)-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC)C(=O)OC(C)C)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)CC)C(=O)OC(C)C)C

InChI

InChI=1S/C22H31N3O4/c1-6-8-12-25-15(5)19(21(27)29-14(3)4)20(24-22(25)28)16-10-9-11-17(13-16)23-18(26)7-2/h9-11,13-14,20H,6-8,12H2,1-5H3,(H,23,26)(H,24,28)