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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-7-11-24-13(2)16(18(25)28-6)17(23-20(24)27)14-9-8-10-15(12-14)22-19(26)21(3,4)5/h8-10,12,17H,7,11H2,1-6H3,(H,22,26)(H,23,27)