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

Systemtic Name: N4-[6-[azanyl-(2,4-dichlorophenyl)amino]-9-cyclopentyl-purin-2-yl]cyclohexane-1,4-diamine Openeye Name: N4-[6-(N-amino-2,4-dichloro-anilino)-9-cyclopentyl-purin-2-yl]cyclohexane-1,4-diamine CAS Name: N4-[6-(N-amino-2,4-dichloroanilino)-9-cyclopentyl-2-purinyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-[6-(N-amino-2,4-dichloroanilino)-9-cyclopentylpurin-2-yl]cyclohexane-1,4-diamine Traditional Name: (4-aminocyclohexyl)-[6-(N-amino-2,4-dichloro-anilino)-9-cyclopentyl-purin-2-yl]amine Formula: C22H28Cl2N8 MolecularWeight: 475.41732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28Cl2N8/c23-13-5-10-18(17(24)11-13)32(26)21-19-20(31(12-27-19)16-3-1-2-4-16)29-22(30-21)28-15-8-6-14(25)7-9-15/h5,10-12,14-16H,1-4,6-9,25-26H2,(H,28,29,30)