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

Systemtic Name: N-[(2-chlorophenyl)methyl]-9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-purin-6-amine Openeye Name: N-[(2-chlorophenyl)methyl]-9-[(4-nitrophenyl)methyl]-2-piperazin-1-yl-purin-6-amine CAS Name: N-[(2-chlorophenyl)methyl]-9-[(4-nitrophenyl)methyl]-2-(1-piperazinyl)-6-purinamine IUPAC Name: N-[(2-chlorophenyl)methyl]-9-[(4-nitrophenyl)methyl]-2-piperazin-1-ylpurin-6-amine Traditional Name: (2-chlorobenzyl)-[9-(4-nitrobenzyl)-2-piperazino-purin-6-yl]amine Formula: C23H23ClN8O2 MolecularWeight: 478.93412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)NCC4=CC=CC=C4Cl)N=CN3CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H23ClN8O2/c24-19-4-2-1-3-17(19)13-26-21-20-22(29-23(28-21)30-11-9-25-10-12-30)31(15-27-20)14-16-5-7-18(8-6-16)32(33)34/h1-8,15,25H,9-14H2,(H,26,28,29)