N2-(4-azanylcyclohexyl)-9-butan-2-yl-N6-(phenylmethyl)purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-butan-2-yl-N6-(phenylmethyl)purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-benzyl-9-sec-butyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-butan-2-yl-N6-(phenylmethyl)purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-benzyl-9-butan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-(benzylamino)-9-sec-butyl-purin-2-yl]amine Formula: C22H31N7 MolecularWeight: 393.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NC4CCC(CC4)N

Isomeric SMILES

CCC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NC4CCC(CC4)N

InChI

InChI=1S/C22H31N7/c1-3-15(2)29-14-25-19-20(24-13-16-7-5-4-6-8-16)27-22(28-21(19)29)26-18-11-9-17(23)10-12-18/h4-8,14-15,17-18H,3,9-13,23H2,1-2H3,(H2,24,26,27,28)