1-[8-(pyrrolidin-3-ylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol

Systemtic Name: 1-[8-(pyrrolidin-3-ylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol Openeye Name: 1-[8-(pyrrolidin-3-ylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol CAS Name: 1-[8-(3-pyrrolidinylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol IUPAC Name: 1-[8-(pyrrolidin-3-ylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol Traditional Name: 1-[8-(pyrrolidin-3-ylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol Formula: C14H21N6O2+ MolecularWeight: 305.35554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)([N+]2=C(NC3=CN=CN=C32)NC4CCNC4)O)O

Isomeric SMILES

C1CC(C(C1)([N+]2=C(NC3=CN=CN=C32)NC4CCNC4)O)O

InChI

InChI=1S/C14H20N6O2/c21-11-2-1-4-14(11,22)20-12-10(7-16-8-17-12)19-13(20)18-9-3-5-15-6-9/h7-9,11,15,21-22H,1-6H2,(H,18,19)/p+1