N4-[6-[azanyl-(2-chlorophenyl)amino]-9-cyclopentyl-purin-2-yl]cyclohexane-1,4-diamine

Systemtic Name: N4-[6-[azanyl-(2-chlorophenyl)amino]-9-cyclopentyl-purin-2-yl]cyclohexane-1,4-diamine Openeye Name: N4-[6-(N-amino-2-chloro-anilino)-9-cyclopentyl-purin-2-yl]cyclohexane-1,4-diamine CAS Name: N4-[6-(N-amino-2-chloroanilino)-9-cyclopentyl-2-purinyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[6-(N-amino-2-chloroanilino)-9-cyclopentylpurin-2-yl]cyclohexane-1,4-diamine Traditional Name: [6-(N-amino-2-chloro-anilino)-9-cyclopentyl-purin-2-yl]-(4-aminocyclohexyl)amine Formula: C22H29ClN8 MolecularWeight: 440.97226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3N(C4=CC=CC=C4Cl)N)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3N(C4=CC=CC=C4Cl)N)NC5CCC(CC5)N

InChI

InChI=1S/C22H29ClN8/c23-17-7-3-4-8-18(17)31(25)21-19-20(30(13-26-19)16-5-1-2-6-16)28-22(29-21)27-15-11-9-14(24)10-12-15/h3-4,7-8,13-16H,1-2,5-6,9-12,24-25H2,(H,27,28,29)