1-methyl-5-[6-(pyrrolidin-3-ylamino)purin-9-yl]cyclopentane-1,2,3-triol dihydrochloride

Systemtic Name: 1-methyl-5-[6-(pyrrolidin-3-ylamino)purin-9-yl]cyclopentane-1,2,3-triol dihydrochloride Openeye Name: 1-methyl-5-[6-(pyrrolidin-3-ylamino)purin-9-yl]cyclopentane-1,2,3-triol dihydrochloride CAS Name: 1-methyl-5-[6-(3-pyrrolidinylamino)-9-purinyl]cyclopentane-1,2,3-triol dihydrochloride IUPAC Name: 1-methyl-5-[6-(pyrrolidin-3-ylamino)purin-9-yl]cyclopentane-1,2,3-triol dihydrochloride Traditional Name: 1-methyl-5-[6-(pyrrolidin-3-ylamino)purin-9-yl]cyclopentane-1,2,3-triol dihydrochloride Formula: C15H24Cl2N6O3 MolecularWeight: 407.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(C1O)O)N2C=NC3=C2N=CN=C3NC4CCNC4)O.Cl.Cl

Isomeric SMILES

CC1(C(CC(C1O)O)N2C=NC3=C2N=CN=C3NC4CCNC4)O.Cl.Cl

InChI

InChI=1S/C15H22N6O3.2ClH/c1-15(24)10(4-9(22)12(15)23)21-7-19-11-13(17-6-18-14(11)21)20-8-2-3-16-5-8;;/h6-10,12,16,22-24H,2-5H2,1H3,(H,17,18,20);2*1H