2-[6-azanyl-2-[(6-phenylazanylpyridin-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[(6-phenylazanylpyridin-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[(6-anilino-3-pyridyl)amino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[(6-anilino-3-pyridinyl)amino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[(6-anilinopyridin-3-yl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[(6-anilino-3-pyridyl)amino]purin-9-yl]-5-methylol-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)NC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C(C=C2)NC3=NC4=C(C(=N3)N)N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C21H22N8O4/c22-18-15-19(29(10-24-15)20-17(32)16(31)13(9-30)33-20)28-21(27-18)26-12-6-7-14(23-8-12)25-11-4-2-1-3-5-11/h1-8,10,13,16-17,20,30-32H,9H2,(H,23,25)(H3,22,26,27,28)