N-[(2-chlorophenyl)methyl]-9-[(3-methylphenyl)methyl]-2-piperazin-1-yl-purin-6-amine

Systemtic Name: N-[(2-chlorophenyl)methyl]-9-[(3-methylphenyl)methyl]-2-piperazin-1-yl-purin-6-amine Openeye Name: N-[(2-chlorophenyl)methyl]-9-(m-tolylmethyl)-2-piperazin-1-yl-purin-6-amine CAS Name: N-[(2-chlorophenyl)methyl]-9-[(3-methylphenyl)methyl]-2-(1-piperazinyl)-6-purinamine IUPAC Name: N-[(2-chlorophenyl)methyl]-9-[(3-methylphenyl)methyl]-2-piperazin-1-ylpurin-6-amine Traditional Name: (2-chlorobenzyl)-[9-(3-methylbenzyl)-2-piperazino-purin-6-yl]amine Formula: C24H26ClN7 MolecularWeight: 447.96314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4Cl)N5CCNCC5

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4Cl)N5CCNCC5

InChI

InChI=1S/C24H26ClN7/c1-17-5-4-6-18(13-17)15-32-16-28-21-22(27-14-19-7-2-3-8-20(19)25)29-24(30-23(21)32)31-11-9-26-10-12-31/h2-8,13,16,26H,9-12,14-15H2,1H3,(H,27,29,30)