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

Systemtic Name: methyl 3-butyl-6-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-6-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-6-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-6-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-[3-(pivaloylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C)(C)C)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)C(C)(C)C)C(=O)OC)C

InChI

InChI=1S/C22H31N3O4/c1-7-8-12-25-14(2)17(19(26)29-6)18(24-21(25)28)15-10-9-11-16(13-15)23-20(27)22(3,4)5/h9-11,13,18H,7-8,12H2,1-6H3,(H,23,27)(H,24,28)