N-(4-methylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidin-4-amine

Systemtic Name: N-(4-methylphenyl)-2-[4-(phenylmethyl)piperazin-1-yl]-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: 2-(4-benzylpiperazin-1-yl)-6-(1-piperidyl)-N-(p-tolyl)pyrimidin-4-amine CAS Name: N-(4-methylphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: [2-(4-benzylpiperazino)-6-piperidino-pyrimidin-4-yl]-(p-tolyl)amine Formula: C27H34N6 MolecularWeight: 442.59906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCCCC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)N3CCCCC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H34N6/c1-22-10-12-24(13-11-22)28-25-20-26(32-14-6-3-7-15-32)30-27(29-25)33-18-16-31(17-19-33)21-23-8-4-2-5-9-23/h2,4-5,8-13,20H,3,6-7,14-19,21H2,1H3,(H,28,29,30)