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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(4-phenylphenyl)methyl]-9-prop-2-enyl-purine-2,6-diamine Openeye Name: 9-allyl-N2-(4-aminocyclohexyl)-N6-[(4-phenylphenyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(4-phenylphenyl)methyl]-9-prop-2-enylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(4-phenylphenyl)methyl]-9-prop-2-enylpurine-2,6-diamine Traditional Name: [9-allyl-2-[(4-aminocyclohexyl)amino]purin-6-yl]-(4-phenylbenzyl)amine Formula: C27H31N7 MolecularWeight: 453.58194

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

C=CCN1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C27H31N7/c1-2-16-34-18-30-24-25(32-27(33-26(24)34)31-23-14-12-22(28)13-15-23)29-17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h2-11,18,22-23H,1,12-17,28H2,(H2,29,31,32,33)