2-(6-aminopurin-9-yl)-5-[[1-(phenylmethyl)piperidin-4-yl]oxymethyl]oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-[[1-(phenylmethyl)piperidin-4-yl]oxymethyl]oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[(1-benzyl-4-piperidyl)oxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-[[1-(phenylmethyl)-4-piperidinyl]oxymethyl]oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-[(1-benzylpiperidin-4-yl)oxymethyl]oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[(1-benzyl-4-piperidyl)oxymethyl]tetrahydrofuran-3,4-diol Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1OCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O)CC5=CC=CC=C5

InChI

InChI=1S/C22H28N6O4/c23-20-17-21(25-12-24-20)28(13-26-17)22-19(30)18(29)16(32-22)11-31-15-6-8-27(9-7-15)10-14-4-2-1-3-5-14/h1-5,12-13,15-16,18-19,22,29-30H,6-11H2,(H2,23,24,25)