6-methyl-5-pentyl-2-[(4-phenylphenyl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-pentyl-2-[(4-phenylphenyl)amino]-1H-pyrimidin-4-one Openeye Name: 6-methyl-5-pentyl-2-(4-phenylanilino)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-pentyl-2-(4-phenylanilino)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-pentyl-2-(4-phenylanilino)-1H-pyrimidin-4-one Traditional Name: 5-amyl-6-methyl-2-(4-phenylanilino)-1H-pyrimidin-4-one Formula: C22H25N3O MolecularWeight: 347.4534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NC(=NC1=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCC1=C(NC(=NC1=O)NC2=CC=C(C=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O/c1-3-4-6-11-20-16(2)23-22(25-21(20)26)24-19-14-12-18(13-15-19)17-9-7-5-8-10-17/h5,7-10,12-15H,3-4,6,11H2,1-2H3,(H2,23,24,25,26)