[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-pyrrolidin-1-ium-3-yl-sulfanium; hydrogen sulfate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-pyrrolidin-1-ium-3-yl-sulfanium; hydrogen sulfate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-pyrrolidin-1-ium-3-yl-sulfonium; hydrogen sulfate CAS Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-methyl-(3-pyrrolidin-1-iumyl)sulfonium; hydrogen sulfate IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methyl-pyrrolidin-1-ium-3-ylsulfanium; hydrogen sulfate Traditional Name: (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl-methyl-pyrrolidin-1-ium-3-yl-sulfonium dibisulfate Formula: C15H26N6O11S3 MolecularWeight: 562.59554

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)C4CC[NH2+]C4.OS(=O)(=O)[O-].OS(=O)(=O)[O-]

Isomeric SMILES

C[S+](CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)C4CC[NH2+]C4.OS(=O)(=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C15H23N6O3S.2H2O4S/c1-25(8-2-3-17-4-8)5-9-11(22)12(23)15(24-9)21-7-20-10-13(16)18-6-19-14(10)21;2*1-5(2,3)4/h6-9,11-12,15,17,22-23H,2-5H2,1H3,(H2,16,18,19);2*(H2,1,2,3,4)/q+1;;/p-1