N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3,4-dichlorophenyl)methyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[(3,4-dichlorophenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3,4-dichlorophenyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[(3,4-dichlorophenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(3,4-dichlorophenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[(3,4-dichlorobenzyl)amino]purin-2-yl]amine Formula: C23H29Cl2N7 MolecularWeight: 474.42926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC(=C(C=C4)Cl)Cl)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC(=C(C=C4)Cl)Cl)NC5CCC(CC5)N

InChI

InChI=1S/C23H29Cl2N7/c24-18-10-5-14(11-19(18)25)12-27-21-20-22(32(13-28-20)17-3-1-2-4-17)31-23(30-21)29-16-8-6-15(26)7-9-16/h5,10-11,13,15-17H,1-4,6-9,12,26H2,(H2,27,29,30,31)