N2-(4-azanylcyclohexyl)-9-butan-2-yl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-butan-2-yl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[(4-phenylphenyl)methyl]-9-sec-butyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-butan-2-yl-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-butan-2-yl-6-N-[(4-phenylphenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(4-phenylbenzyl)amino]-9-sec-butyl-purin-2-yl]amine Formula: C28H35N7 MolecularWeight: 469.6244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

CCC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C28H35N7/c1-3-19(2)35-18-31-25-26(33-28(34-27(25)35)32-24-15-13-23(29)14-16-24)30-17-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-12,18-19,23-24H,3,13-17,29H2,1-2H3,(H2,30,32,33,34)