2-(6-aminopurin-9-yl)-5-[[(6-phenylazanylpyridin-3-yl)amino]oxymethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[[(6-phenylazanylpyridin-3-yl)amino]oxymethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[[(6-anilino-3-pyridyl)amino]oxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[[(6-anilino-3-pyridinyl)amino]oxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[[(6-anilinopyridin-3-yl)amino]oxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[[(6-anilino-3-pyridyl)amino]oxymethyl]tetrahydrofuran-3,4-diol Formula: C21H22N8O4 MolecularWeight: 450.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C(C=C2)NOCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C(C=C2)NOCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O

InChI

InChI=1S/C21H22N8O4/c22-19-16-20(25-10-24-19)29(11-26-16)21-18(31)17(30)14(33-21)9-32-28-13-6-7-15(23-8-13)27-12-4-2-1-3-5-12/h1-8,10-11,14,17-18,21,28,30-31H,9H2,(H,23,27)(H2,22,24,25)