N2-(4-azanylcyclohexyl)-N6-[(3,4-dimethoxyphenyl)methyl]-7H-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(3,4-dimethoxyphenyl)methyl]-7H-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[(3,4-dimethoxyphenyl)methyl]-7H-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(3,4-dimethoxyphenyl)methyl]-7H-purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-7H-purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-(veratrylamino)-7H-purin-2-yl]amine Formula: C20H27N7O2 MolecularWeight: 397.47408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C2NC=N3)NC4CCC(CC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC3=C2NC=N3)NC4CCC(CC4)N)OC

InChI

InChI=1S/C20H27N7O2/c1-28-15-8-3-12(9-16(15)29-2)10-22-18-17-19(24-11-23-17)27-20(26-18)25-14-6-4-13(21)5-7-14/h3,8-9,11,13-14H,4-7,10,21H2,1-2H3,(H3,22,23,24,25,26,27)