1-[6-[(4-methylphenyl)amino]-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-4-one

Systemtic Name: 1-[6-[(4-methylphenyl)amino]-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-4-one Openeye Name: 1-[2-(4-benzylpiperazin-1-yl)-6-(4-methylanilino)pyrimidin-4-yl]piperidin-4-one CAS Name: 1-[6-(4-methylanilino)-2-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-4-piperidinone IUPAC Name: 1-[2-(4-benzylpiperazin-1-yl)-6-(4-methylanilino)pyrimidin-4-yl]piperidin-4-one Traditional Name: 1-[2-(4-benzylpiperazino)-6-(p-toluidino)pyrimidin-4-yl]-4-piperidone Formula: C27H32N6O MolecularWeight: 456.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCC(=O)CC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCC(=O)CC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N6O/c1-21-7-9-23(10-8-21)28-25-19-26(32-13-11-24(34)12-14-32)30-27(29-25)33-17-15-31(16-18-33)20-22-5-3-2-4-6-22/h2-10,19H,11-18,20H2,1H3,(H,28,29,30)