2-[6-azanyl-2-[2-(4-hydroxyphenyl)ethylamino]purin-9-yl]-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol methanoate

Systemtic Name: 2-[6-azanyl-2-[2-(4-hydroxyphenyl)ethylamino]purin-9-yl]-5-(2-ethyl-1,2,3,4-tetrazol-5-yl)oxolane-3,4-diol methanoate Openeye Name: 2-[6-amino-2-[2-(4-hydroxyphenyl)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol formate CAS Name: 2-[6-amino-2-[2-(4-hydroxyphenyl)ethylamino]-9-purinyl]-5-(2-ethyl-5-tetrazolyl)oxolane-3,4-diol formate IUPAC Name: 2-[6-amino-2-[2-(4-hydroxyphenyl)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol formate Traditional Name: 2-[6-amino-2-[2-(4-hydroxyphenyl)ethylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)tetrahydrofuran-3,4-diol formate Formula: C21H25N10O6- MolecularWeight: 513.4866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4N)NCCC5=CC=C(C=C5)O)O)O.C(=O)[O-]

Isomeric SMILES

CCN1N=C(N=N1)C2C(C(C(O2)N3C=NC4=C3N=C(N=C4N)NCCC5=CC=C(C=C5)O)O)O.C(=O)[O-]

InChI

InChI=1S/C20H24N10O4.CH2O2/c1-2-30-27-17(26-28-30)15-13(32)14(33)19(34-15)29-9-23-12-16(21)24-20(25-18(12)29)22-8-7-10-3-5-11(31)6-4-10;2-1-3/h3-6,9,13-15,19,31-33H,2,7-8H2,1H3,(H3,21,22,24,25);1H,(H,2,3)/p-1