2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-(4-methylbenzoyl)piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one CAS Name: 2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-6-[(4-phenyl-1-piperazinyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(4-methylbenzoyl)piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-[(4-phenylpiperazino)methyl]-2-(4-p-toluoylpiperazino)-1H-pyrimidin-4-one Formula: C27H32N6O2 MolecularWeight: 472.58198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=O)C=C(N3)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=O)C=C(N3)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N6O2/c1-21-7-9-22(10-8-21)26(35)32-15-17-33(18-16-32)27-28-23(19-25(34)29-27)20-30-11-13-31(14-12-30)24-5-3-2-4-6-24/h2-10,19H,11-18,20H2,1H3,(H,28,29,34)