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

Systemtic Name: methyl 3-butyl-4-methyl-2-oxidanylidene-6-[3-(pentanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-4-methyl-2-oxo-6-[3-(pentanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[3-(1-oxopentylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-methyl-2-oxo-6-[3-(pentanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-[3-(valerylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4/c1-5-7-12-18(26)23-17-11-9-10-16(14-17)20-19(21(27)29-4)15(3)25(13-8-6-2)22(28)24-20/h9-11,14,20H,5-8,12-13H2,1-4H3,(H,23,26)(H,24,28)