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

Systemtic Name: 2-methylpropyl 6-[3-(hexanoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[3-(hexanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[3-(1-oxohexylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[3-(hexanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(caproylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCC)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCC)C)C(=O)OCC(C)C

InChI

InChI=1S/C25H37N3O4/c1-6-8-9-13-21(29)26-20-12-10-11-19(15-20)23-22(24(30)32-16-17(3)4)18(5)28(14-7-2)25(31)27-23/h10-12,15,17,23H,6-9,13-14,16H2,1-5H3,(H,26,29)(H,27,31)