3-(hydroxymethyl)-5-[6-[1-(4-nitrophenyl)piperidin-4-yl]purin-9-yl]cyclopentane-1,2-diol

Systemtic Name: 3-(hydroxymethyl)-5-[6-[1-(4-nitrophenyl)piperidin-4-yl]purin-9-yl]cyclopentane-1,2-diol Openeye Name: 3-(hydroxymethyl)-5-[6-[1-(4-nitrophenyl)-4-piperidyl]purin-9-yl]cyclopentane-1,2-diol CAS Name: 3-(hydroxymethyl)-5-[6-[1-(4-nitrophenyl)-4-piperidinyl]-9-purinyl]cyclopentane-1,2-diol IUPAC Name: 3-(hydroxymethyl)-5-[6-[1-(4-nitrophenyl)piperidin-4-yl]purin-9-yl]cyclopentane-1,2-diol Traditional Name: 3-methylol-5-[6-[1-(4-nitrophenyl)-4-piperidyl]purin-9-yl]cyclopentane-1,2-diol Formula: C22H26N6O5 MolecularWeight: 454.47904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C3C(=NC=N2)N(C=N3)C4CC(C(C4O)O)CO)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=C3C(=NC=N2)N(C=N3)C4CC(C(C4O)O)CO)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O5/c29-10-14-9-17(21(31)20(14)30)27-12-25-19-18(23-11-24-22(19)27)13-5-7-26(8-6-13)15-1-3-16(4-2-15)28(32)33/h1-4,11-14,17,20-21,29-31H,5-10H2