propan-2-yl 3,4-dimethyl-6-[3-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3,4-dimethyl-6-[3-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3,4-dimethyl-6-[3-(3-methylbutanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3,4-dimethyl-6-[3-(3-methylbutanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(isovalerylamino)phenyl]-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)NC(=O)CC(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)NC(=O)CC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C21H29N3O4/c1-12(2)10-17(25)22-16-9-7-8-15(11-16)19-18(20(26)28-13(3)4)14(5)24(6)21(27)23-19/h7-9,11-13,19H,10H2,1-6H3,(H,22,25)(H,23,27)