5-[2-azanyl-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)thiolan-3-ol

Systemtic Name: 5-[2-azanyl-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)thiolan-3-ol Openeye Name: 5-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)tetrahydrothiophen-3-ol CAS Name: 5-[2-amino-6-(cyclopropylamino)-9-purinyl]-2-(hydroxymethyl)-3-thiolanol IUPAC Name: 5-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)thiolan-3-ol Traditional Name: 5-[2-amino-6-(cyclopropylamino)purin-9-yl]-2-methylol-tetrahydrothiophen-3-ol Formula: C13H18N6O2S MolecularWeight: 322.38602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C(S4)CO)O)N

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C(S4)CO)O)N

InChI

InChI=1S/C13H18N6O2S/c14-13-17-11(16-6-1-2-6)10-12(18-13)19(5-15-10)9-3-7(21)8(4-20)22-9/h5-9,20-21H,1-4H2,(H3,14,16,17,18)