N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-nitrophenyl)purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(4-nitrophenyl)purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-nitrophenyl)purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(4-nitrophenyl)purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(4-nitrophenyl)purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(4-nitroanilino)purin-2-yl]amine Formula: C22H28N8O2 MolecularWeight: 436.51012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)[N+](=O)[O-])NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)[N+](=O)[O-])NC5CCC(CC5)N

InChI

InChI=1S/C22H28N8O2/c23-14-5-7-16(8-6-14)26-22-27-20(25-15-9-11-18(12-10-15)30(31)32)19-21(28-22)29(13-24-19)17-3-1-2-4-17/h9-14,16-17H,1-8,23H2,(H2,25,26,27,28)