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

Systemtic Name: methyl 3-butyl-6-[4-(hexanoylamino)phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-butyl-6-[4-(hexanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[4-(1-oxohexylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-6-[4-(hexanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[4-(caproylamino)phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4/c1-5-7-9-10-19(27)24-18-13-11-17(12-14-18)21-20(22(28)30-4)16(3)26(15-8-6-2)23(29)25-21/h11-14,21H,5-10,15H2,1-4H3,(H,24,27)(H,25,29)