N2-(2-azanylcyclohexyl)-9-propan-2-yl-N6-(pyridin-3-ylmethyl)purine-2,6-diamine

Systemtic Name: N2-(2-azanylcyclohexyl)-9-propan-2-yl-N6-(pyridin-3-ylmethyl)purine-2,6-diamine Openeye Name: N2-(2-aminocyclohexyl)-9-isopropyl-N6-(3-pyridylmethyl)purine-2,6-diamine CAS Name: N2-(2-aminocyclohexyl)-9-propan-2-yl-N6-(3-pyridinylmethyl)purine-2,6-diamine IUPAC Name: 2-N-(2-aminocyclohexyl)-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine Traditional Name: (2-aminocyclohexyl)-[9-isopropyl-6-(3-pyridylmethylamino)purin-2-yl]amine Formula: C20H28N8 MolecularWeight: 380.48992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=CC=C3)NC4CCCCC4N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CN=CC=C3)NC4CCCCC4N

InChI

InChI=1S/C20H28N8/c1-13(2)28-12-24-17-18(23-11-14-6-5-9-22-10-14)26-20(27-19(17)28)25-16-8-4-3-7-15(16)21/h5-6,9-10,12-13,15-16H,3-4,7-8,11,21H2,1-2H3,(H2,23,25,26,27)