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

Systemtic Name: propan-2-yl 6-[3-(butanoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[3-(butanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-2-oxo-6-[3-(1-oxobutylamino)phenyl]-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[3-(butanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-butyramidophenyl)-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCC)C)C(=O)OC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCC)C)C(=O)OC(C)C

InChI

InChI=1S/C22H31N3O4/c1-6-9-18(26)23-17-11-8-10-16(13-17)20-19(21(27)29-14(3)4)15(5)25(12-7-2)22(28)24-20/h8,10-11,13-14,20H,6-7,9,12H2,1-5H3,(H,23,26)(H,24,28)