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

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

C1CC(C(C1CO)O)(N2C=NC3=C(N=CN=C32)C4CCNCC4C5=CC=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

C1CC(C(C1CO)O)(N2C=NC3=C(N=CN=C32)C4CCNCC4C5=CC=C(C=C5)[N+](=O)[O-])O

InChI

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