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

Systemtic Name: methyl 6-[3-(3,3-dimethylbutanoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[3-(3,3-dimethylbutanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-(3,3-dimethylbutanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(3,3-dimethylbutanoylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid methyl 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)(C)C)C(=O)OC)C

Isomeric SMILES

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

InChI

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