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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C)C)C(=O)OC(C)C)C

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C)C)C(=O)OC(C)C)C

InChI

InChI=1S/C22H31N3O4/c1-7-11-25-15(6)18(21(27)29-14(4)5)19(24-22(25)28)16-9-8-10-17(12-16)23-20(26)13(2)3/h8-10,12-14,19H,7,11H2,1-6H3,(H,23,26)(H,24,28)