2-[6-(cyclopropylamino)-2-(quinolin-6-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-(cyclopropylamino)-2-(quinolin-6-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(cyclopropylamino)-2-(6-quinolylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(cyclopropylamino)-2-(6-quinolinylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(cyclopropylamino)-2-(quinolin-6-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(cyclopropylamino)-2-(6-quinolylamino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H23N7O4 MolecularWeight: 449.46252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)NC5=CC6=C(C=C5)N=CC=C6

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)NC5=CC6=C(C=C5)N=CC=C6

InChI

InChI=1S/C22H23N7O4/c30-9-15-17(31)18(32)21(33-15)29-10-24-16-19(25-12-3-4-12)27-22(28-20(16)29)26-13-5-6-14-11(8-13)2-1-7-23-14/h1-2,5-8,10,12,15,17-18,21,30-32H,3-4,9H2,(H2,25,26,27,28)