4-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-sulfonio]-2-azanyl-butanoate; sulfuric acid

Systemtic Name: 4-[[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-sulfonio]-2-azanyl-butanoate; sulfuric acid Openeye Name: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate; sulfuric acid CAS Name: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-methylsulfonio]butanoate; sulfuric acid IUPAC Name: 2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate; sulfuric acid Traditional Name: 4-[(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl-methyl-sulfonio]-2-amino-butyrate; sulfuric acid Formula: C15H26N6O13S3 MolecularWeight: 594.59434

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.OS(=O)(=O)O.OS(=O)(=O)O

Isomeric SMILES

C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChI

InChI=1S/C15H22N6O5S.2H2O4S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2*(H2,1,2,3,4)