4-[6-[(2-chlorophenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide Openeye Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide CAS Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(4-nitrophenyl)methyl]-2-purinyl]-N-cyclohexyl-1-piperazinecarboxamide IUPAC Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(4-nitrophenyl)methyl]purin-2-yl]-N-cyclohexylpiperazine-1-carboxamide Traditional Name: 4-[6-[(2-chlorobenzyl)amino]-9-(4-nitrobenzyl)purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide Formula: C30H34ClN9O3 MolecularWeight: 604.10246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5=CC=CC=C5Cl)N=CN4CC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCC5=CC=CC=C5Cl)N=CN4CC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C30H34ClN9O3/c31-25-9-5-4-6-22(25)18-32-27-26-28(39(20-33-26)19-21-10-12-24(13-11-21)40(42)43)36-29(35-27)37-14-16-38(17-15-37)30(41)34-23-7-2-1-3-8-23/h4-6,9-13,20,23H,1-3,7-8,14-19H2,(H,34,41)(H,32,35,36)