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

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

Isomeric SMILES

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

InChI

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