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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)CC(C)(C)C)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C([C@H](NC1=O)C2=CC=C(C=C2)NC(=O)CC(C)(C)C)C(=O)OCC)C

InChI

InChI=1S/C22H31N3O4/c1-7-25-14(3)18(20(27)29-8-2)19(24-21(25)28)15-9-11-16(12-10-15)23-17(26)13-22(4,5)6/h9-12,19H,7-8,13H2,1-6H3,(H,23,26)(H,24,28)/t19-/m1/s1