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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(2-quinolin-3-ylethylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[2-(3-quinolyl)ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[2-(3-quinolinyl)ethylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(2-quinolin-3-ylethylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-[2-(3-quinolyl)ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C21H22N6O4/c28-9-15-17(29)18(30)21(31-15)27-11-26-16-19(24-10-25-20(16)27)22-6-5-12-7-13-3-1-2-4-14(13)23-8-12/h1-4,7-8,10-11,15,17-18,21,28-30H,5-6,9H2,(H,22,24,25)