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

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(4-phenylpiperazin-1-yl)methylamino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[(4-phenylpiperazin-1-yl)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(4-phenyl-1-piperazinyl)methylamino]-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[(4-phenylpiperazin-1-yl)methylamino]purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-[(4-phenylpiperazino)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H27N7O4 MolecularWeight: 441.48358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C5=CC=CC=C5

InChI

InChI=1S/C21H27N7O4/c29-10-15-17(30)18(31)21(32-15)28-13-24-16-19(22-11-23-20(16)28)25-12-26-6-8-27(9-7-26)14-4-2-1-3-5-14/h1-5,11,13,15,17-18,21,29-31H,6-10,12H2,(H,22,23,25)