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

Systemtic Name: N-[(4-methylphenyl)methyl]-9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-purin-6-amine Openeye Name: 9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-N-(p-tolylmethyl)purin-6-amine CAS Name: N-[(4-methylphenyl)methyl]-9-[(4-nitrophenyl)methyl]-2-(1-piperazinyl)-6-purinamine IUPAC Name: N-[(4-methylphenyl)methyl]-9-[(4-nitrophenyl)methyl]-2-piperazin-1-ylpurin-6-amine Traditional Name: (4-methylbenzyl)-[9-(4-nitrobenzyl)-2-piperazino-purin-6-yl]amine Formula: C24H26N8O2 MolecularWeight: 458.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC=C(C=C4)[N+](=O)[O-])N5CCNCC5

InChI

InChI=1S/C24H26N8O2/c1-17-2-4-18(5-3-17)14-26-22-21-23(29-24(28-22)30-12-10-25-11-13-30)31(16-27-21)15-19-6-8-20(9-7-19)32(33)34/h2-9,16,25H,10-15H2,1H3,(H,26,28,29)