2-(hydroxymethyl)-5-[6-(piperidin-1-ylamino)-2-propoxy-purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(piperidin-1-ylamino)-2-propoxy-purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(1-piperidylamino)-2-propoxy-purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(1-piperidinylamino)-2-propoxy-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(piperidin-1-ylamino)-2-propoxypurin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(piperidinoamino)-2-propoxy-purin-9-yl]tetrahydrofuran-3,4-diol Formula: C18H28N6O5 MolecularWeight: 408.45212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC2=C(C(=N1)NN3CCCCC3)N=CN2C4C(C(C(O4)CO)O)O

Isomeric SMILES

CCCOC1=NC2=C(C(=N1)NN3CCCCC3)N=CN2C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H28N6O5/c1-2-8-28-18-20-15(22-23-6-4-3-5-7-23)12-16(21-18)24(10-19-12)17-14(27)13(26)11(9-25)29-17/h10-11,13-14,17,25-27H,2-9H2,1H3,(H,20,21,22)