2-(hydroxymethyl)-5-[6-(pyrrol-1-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(pyrrol-1-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(pyrrol-1-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(1-pyrrolylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(pyrrol-1-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(pyrrol-1-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C14H16N6O4 MolecularWeight: 332.31464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CN(C=C1)NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C14H16N6O4/c21-5-8-10(22)11(23)14(24-8)20-7-17-9-12(15-6-16-13(9)20)18-19-3-1-2-4-19/h1-4,6-8,10-11,14,21-23H,5H2,(H,15,16,18)