2-(2-ethyl-1,2,3,4-tetrazol-5-yl)-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(phenethylamino)purin-9-yl]oxolane-3,4-diol dihydrochloride

Systemtic Name: 2-(2-ethyl-1,2,3,4-tetrazol-5-yl)-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(phenethylamino)purin-9-yl]oxolane-3,4-diol dihydrochloride Openeye Name: 2-(2-ethyltetrazol-5-yl)-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(phenethylamino)purin-9-yl]tetrahydrofuran-3,4-diol dihydrochloride CAS Name: 2-(2-ethyl-5-tetrazolyl)-5-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-6-(phenethylamino)-9-purinyl]oxolane-3,4-diol dihydrochloride IUPAC Name: 2-(2-ethyltetrazol-5-yl)-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(phenethylamino)purin-9-yl]oxolane-3,4-diol dihydrochloride Traditional Name: 2-(2-ethyltetrazol-5-yl)-5-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(phenethylamino)purin-9-yl]tetrahydrofuran-3,4-diol dihydrochloride Formula: C26H34Cl2N12O3 MolecularWeight: 633.53276

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCCC5=CC=CC=C5)NCCC6=CN(C=N6)C)O)O.Cl.Cl

Isomeric SMILES

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4NCCC5=CC=CC=C5)NCCC6=CN(C=N6)C)O)O.Cl.Cl

InChI

InChI=1S/C26H32N12O3.2ClH/c1-3-38-34-23(33-35-38)21-19(39)20(40)25(41-21)37-15-30-18-22(27-11-9-16-7-5-4-6-8-16)31-26(32-24(18)37)28-12-10-17-13-36(2)14-29-17;;/h4-8,13-15,19-21,25,39-40H,3,9-12H2,1-2H3,(H2,27,28,31,32);2*1H