2-[6-[hydroxymethyl(phenethyl)amino]-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol; methanoic acid

Systemtic Name: 2-[6-[hydroxymethyl(phenethyl)amino]-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol; methanoic acid Openeye Name: formic acid; 2-[6-[hydroxymethyl(phenethyl)amino]-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol CAS Name: formic acid; 2-[6-[hydroxymethyl(phenethyl)amino]-2-[2-(1-methyl-4-imidazolyl)ethylamino]-9-purinyl]-5-(2-methyl-5-tetrazolyl)oxolane-3,4-diol IUPAC Name: formic acid; 2-[6-[hydroxymethyl(phenethyl)amino]-2-[2-(1-methylimidazol-4-yl)ethylamino]purin-9-yl]-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol Traditional Name: formic acid; 2-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-[methylol(phenethyl)amino]purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol Formula: C27H34N12O6 MolecularWeight: 622.63566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CCNC2=NC3=C(C(=N2)N(CCC4=CC=CC=C4)CO)N=CN3C5C(C(C(O5)C6=NN(N=N6)C)O)O.C(=O)O

Isomeric SMILES

CN1C=C(N=C1)CCNC2=NC3=C(C(=N2)N(CCC4=CC=CC=C4)CO)N=CN3C5C(C(C(O5)C6=NN(N=N6)C)O)O.C(=O)O

InChI

InChI=1S/C26H32N12O4.CH2O2/c1-35-12-17(28-13-35)8-10-27-26-30-23(37(15-39)11-9-16-6-4-3-5-7-16)18-24(31-26)38(14-29-18)25-20(41)19(40)21(42-25)22-32-34-36(2)33-22;2-1-3/h3-7,12-14,19-21,25,39-41H,8-11,15H2,1-2H3,(H,27,30,31);1H,(H,2,3)