N2-(4-azanylcyclohexyl)-N6-(3-chlorophenyl)-8-methyl-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-(3-chlorophenyl)-8-methyl-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-(3-chlorophenyl)-9-isopropyl-8-methyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-(3-chlorophenyl)-8-methyl-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(3-chlorophenyl)-8-methyl-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-(3-chloroanilino)-9-isopropyl-8-methyl-purin-2-yl]amine Formula: C21H28ClN7 MolecularWeight: 413.94692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C(C)C)N=C(N=C2NC3=CC(=CC=C3)Cl)NC4CCC(CC4)N

Isomeric SMILES

CC1=NC2=C(N1C(C)C)N=C(N=C2NC3=CC(=CC=C3)Cl)NC4CCC(CC4)N

InChI

InChI=1S/C21H28ClN7/c1-12(2)29-13(3)24-18-19(25-17-6-4-5-14(22)11-17)27-21(28-20(18)29)26-16-9-7-15(23)8-10-16/h4-6,11-12,15-16H,7-10,23H2,1-3H3,(H2,25,26,27,28)