N2-(4-azanylcyclohexyl)-N6-[(2,3-dimethoxyphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(2,3-dimethoxyphenyl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[(2,3-dimethoxyphenyl)methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(2,3-dimethoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(2,3-dimethoxyphenyl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-(o-veratrylamino)purin-2-yl]amine Formula: C23H33N7O2 MolecularWeight: 439.55382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N7O2/c1-14(2)30-13-26-19-21(25-12-15-6-5-7-18(31-3)20(15)32-4)28-23(29-22(19)30)27-17-10-8-16(24)9-11-17/h5-7,13-14,16-17H,8-12,24H2,1-4H3,(H2,25,27,28,29)