2-(6-aminopurin-9-yl)-5-(pyrrolidin-1-ium-3-ylsulfanylmethyl)oxolane-3,4-diol; hydrogen sulfate

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(pyrrolidin-1-ium-3-ylsulfanylmethyl)oxolane-3,4-diol; hydrogen sulfate Openeye Name: 2-(6-aminopurin-9-yl)-5-(pyrrolidin-1-ium-3-ylsulfanylmethyl)tetrahydrofuran-3,4-diol; hydrogen sulfate CAS Name: 2-(6-aminopurin-9-yl)-5-[(3-pyrrolidin-1-iumylthio)methyl]oxolane-3,4-diol; hydrogen sulfate IUPAC Name: 2-(6-aminopurin-9-yl)-5-(pyrrolidin-1-ium-3-ylsulfanylmethyl)oxolane-3,4-diol; hydrogen sulfate Traditional Name: 2-adenin-9-yl-5-[(pyrrolidin-1-ium-3-ylthio)methyl]tetrahydrofuran-3,4-diol bisulfate Formula: C14H22N6O7S2 MolecularWeight: 450.49048

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC1SCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O.OS(=O)(=O)[O-]

Isomeric SMILES

C1C[NH2+]CC1SCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C14H20N6O3S.H2O4S/c15-12-9-13(18-5-17-12)20(6-19-9)14-11(22)10(21)8(23-14)4-24-7-1-2-16-3-7;1-5(2,3)4/h5-8,10-11,14,16,21-22H,1-4H2,(H2,15,17,18);(H2,1,2,3,4)