2-[6-[hydroxymethyl(phenethyl)amino]-2-(2-pyrrolidin-1-ylethylamino)purin-9-yl]-5-(2-methyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol

Systemtic Name: 2-[6-[hydroxymethyl(phenethyl)amino]-2-(2-pyrrolidin-1-ylethylamino)purin-9-yl]-5-(2-methyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol Openeye Name: 2-[6-[hydroxymethyl(phenethyl)amino]-2-(2-pyrrolidin-1-ylethylamino)purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-[hydroxymethyl(phenethyl)amino]-2-[2-(1-pyrrolidinyl)ethylamino]-9-purinyl]-5-(2-methyl-5-tetrazolyl)oxolane-3,4-diol IUPAC Name: 2-[6-[hydroxymethyl(phenethyl)amino]-2-(2-pyrrolidin-1-ylethylamino)purin-9-yl]-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol Traditional Name: 2-[6-[methylol(phenethyl)amino]-2-(2-pyrrolidinoethylamino)purin-9-yl]-5-(2-methyltetrazol-5-yl)tetrahydrofuran-3,4-diol Formula: C26H35N11O4 MolecularWeight: 565.6274

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Descriptors Computed from Structure

Canonical SMILES:

CN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4N(CCC5=CC=CC=C5)CO)NCCN6CCCC6)O)O

Isomeric SMILES

CN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4N(CCC5=CC=CC=C5)CO)NCCN6CCCC6)O)O

InChI

InChI=1S/C26H35N11O4/c1-34-32-22(31-33-34)21-19(39)20(40)25(41-21)37-15-28-18-23(36(16-38)13-9-17-7-3-2-4-8-17)29-26(30-24(18)37)27-10-14-35-11-5-6-12-35/h2-4,7-8,15,19-21,25,38-40H,5-6,9-14,16H2,1H3,(H,27,29,30)