N-[(4-methylphenyl)methyl]-9-(phenylmethyl)-2-piperazin-1-yl-purin-6-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-9-(phenylmethyl)-2-piperazin-1-yl-purin-6-amine Openeye Name: 9-benzyl-2-piperazin-1-yl-N-(p-tolylmethyl)purin-6-amine CAS Name: N-[(4-methylphenyl)methyl]-9-(phenylmethyl)-2-(1-piperazinyl)-6-purinamine IUPAC Name: 9-benzyl-N-[(4-methylphenyl)methyl]-2-piperazin-1-ylpurin-6-amine Traditional Name: (9-benzyl-2-piperazino-purin-6-yl)-(4-methylbenzyl)amine Formula: C24H27N7 MolecularWeight: 413.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N5CCNCC5

InChI

InChI=1S/C24H27N7/c1-18-7-9-19(10-8-18)15-26-22-21-23(29-24(28-22)30-13-11-25-12-14-30)31(17-27-21)16-20-5-3-2-4-6-20/h2-10,17,25H,11-16H2,1H3,(H,26,28,29)