N2-(4-azanylcyclohexyl)-N6-[chloranyl(phenyl)methyl]-9-propyl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[chloranyl(phenyl)methyl]-9-propyl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[chloro(phenyl)methyl]-9-propyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[chloro(phenyl)methyl]-9-propylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[chloro(phenyl)methyl]-9-propylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[chloro(phenyl)methyl]amino]-9-propyl-purin-2-yl]amine Formula: C21H28ClN7 MolecularWeight: 413.94692

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N=C2NC(C3=CC=CC=C3)Cl)NC4CCC(CC4)N

Isomeric SMILES

CCCN1C=NC2=C1N=C(N=C2NC(C3=CC=CC=C3)Cl)NC4CCC(CC4)N

InChI

InChI=1S/C21H28ClN7/c1-2-12-29-13-24-17-19(26-18(22)14-6-4-3-5-7-14)27-21(28-20(17)29)25-16-10-8-15(23)9-11-16/h3-7,13,15-16,18H,2,8-12,23H2,1H3,(H2,25,26,27,28)