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

Systemtic Name: methyl 3-butyl-4-methyl-6-[3-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-4-methyl-6-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-6-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-methyl-6-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-(isobutyrylamino)phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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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(=O)OC)C

Isomeric SMILES

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

InChI

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