2-(hydroxymethyl)-5-[6-[(5-nitro-2,3-dihydro-1H-inden-1-yl)amino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(5-nitro-2,3-dihydro-1H-inden-1-yl)amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[(5-nitroindan-1-yl)amino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(5-nitro-2,3-dihydro-1H-inden-1-yl)amino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[(5-nitro-2,3-dihydro-1H-inden-1-yl)amino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-[(5-nitroindan-1-yl)amino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C19H20N6O6 MolecularWeight: 428.3987

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O6/c26-6-13-15(27)16(28)19(31-13)24-8-22-14-17(20-7-21-18(14)24)23-12-4-1-9-5-10(25(29)30)2-3-11(9)12/h2-3,5,7-8,12-13,15-16,19,26-28H,1,4,6H2,(H,20,21,23)