[4-(4-ethylpiperazin-1-yl)-2-phenyl-pyrimidin-5-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: [4-(4-ethylpiperazin-1-yl)-2-phenyl-pyrimidin-5-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [4-(4-ethylpiperazin-1-yl)-2-phenyl-pyrimidin-5-yl]-[4-(p-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-(4-ethyl-1-piperazinyl)-2-phenyl-5-pyrimidinyl]-[4-[(4-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidin-5-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(4-ethylpiperazino)-2-phenyl-pyrimidin-5-yl]-[4-(4-methylbenzyl)piperazino]methanone Formula: C29H36N6O MolecularWeight: 484.63574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC=C2C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC=C2C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C29H36N6O/c1-3-32-13-17-34(18-14-32)28-26(21-30-27(31-28)25-7-5-4-6-8-25)29(36)35-19-15-33(16-20-35)22-24-11-9-23(2)10-12-24/h4-12,21H,3,13-20,22H2,1-2H3