2-methylpropyl 4-methyl-2-oxidanylidene-6-[3-(propanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-2-oxidanylidene-6-[3-(propanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-2-oxo-6-[3-(propanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[3-(1-oxopropylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-2-oxo-6-[3-(propanoylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-4-methyl-6-(3-propionamidophenyl)-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl 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)CC)C(=O)OCC(C)C)C

Isomeric SMILES

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

InChI

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