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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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