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

Systemtic Name: 5-(hydroxymethyl)-1-[8-(pyrrolidin-3-ylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol Openeye Name: 5-(hydroxymethyl)-1-[8-(pyrrolidin-3-ylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol CAS Name: 5-(hydroxymethyl)-1-[8-(3-pyrrolidinylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol IUPAC Name: 5-(hydroxymethyl)-1-[8-(pyrrolidin-3-ylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol Traditional Name: 5-methylol-1-[8-(pyrrolidin-3-ylamino)-7H-purin-9-ium-9-yl]cyclopentane-1,2-diol Formula: C15H23N6O3+ MolecularWeight: 335.38152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CO)([N+]2=C(NC3=CN=CN=C32)NC4CCNC4)O)O

Isomeric SMILES

C1CC(C(C1CO)([N+]2=C(NC3=CN=CN=C32)NC4CCNC4)O)O

InChI

InChI=1S/C15H22N6O3/c22-7-9-1-2-12(23)15(9,24)21-13-11(6-17-8-18-13)20-14(21)19-10-3-4-16-5-10/h6,8-10,12,16,22-24H,1-5,7H2,(H,19,20)/p+1