N2-(4-azanylcyclohexyl)-N6-(4-methoxyphenyl)-7H-purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-(4-methoxyphenyl)-7H-purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-N6-(4-methoxyphenyl)-7H-purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-N6-(4-methoxyphenyl)-7H-purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(4-methoxyphenyl)-7H-purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[6-(p-anisidino)-7H-purin-2-yl]amine dihydrochloride Formula: C18H25Cl2N7O MolecularWeight: 426.3434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)NC4CCC(CC4)N.Cl.Cl

InChI

InChI=1S/C18H23N7O.2ClH/c1-26-14-8-6-12(7-9-14)22-17-15-16(21-10-20-15)24-18(25-17)23-13-4-2-11(19)3-5-13;;/h6-11,13H,2-5,19H2,1H3,(H3,20,21,22,23,24,25);2*1H