2-[8-[[1-(5-thiophen-2-ylpyridin-2-yl)pyrrolidin-3-yl]amino]-7H-purin-9-ium-9-yl]oxolane-3,4-diol

Systemtic Name: 2-[8-[[1-(5-thiophen-2-ylpyridin-2-yl)pyrrolidin-3-yl]amino]-7H-purin-9-ium-9-yl]oxolane-3,4-diol Openeye Name: 2-[8-[[1-[5-(2-thienyl)-2-pyridyl]pyrrolidin-3-yl]amino]-7H-purin-9-ium-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-[8-[[1-(5-thiophen-2-yl-2-pyridinyl)-3-pyrrolidinyl]amino]-7H-purin-9-ium-9-yl]oxolane-3,4-diol IUPAC Name: 2-[8-[[1-(5-thiophen-2-ylpyridin-2-yl)pyrrolidin-3-yl]amino]-7H-purin-9-ium-9-yl]oxolane-3,4-diol Traditional Name: 2-[8-[[1-[5-(2-thienyl)-2-pyridyl]pyrrolidin-3-yl]amino]-7H-purin-9-ium-9-yl]tetrahydrofuran-3,4-diol Formula: C22H24N7O3S+ MolecularWeight: 466.53606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=[N+](C3=NC=NC=C3N2)C4C(C(CO4)O)O)C5=NC=C(C=C5)C6=CC=CS6

Isomeric SMILES

C1CN(CC1NC2=[N+](C3=NC=NC=C3N2)C4C(C(CO4)O)O)C5=NC=C(C=C5)C6=CC=CS6

InChI

InChI=1S/C22H23N7O3S/c30-16-11-32-21(19(16)31)29-20-15(9-23-12-25-20)27-22(29)26-14-5-6-28(10-14)18-4-3-13(8-24-18)17-2-1-7-33-17/h1-4,7-9,12,14,16,19,21,30-31H,5-6,10-11H2,(H,26,27)/p+1