4-[[[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-oxidanyl-methyl]-methyl-sulfonio]-2-azanyl-butanoate

Systemtic Name: 4-[[[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]-oxidanyl-methyl]-methyl-sulfonio]-2-azanyl-butanoate Openeye Name: 2-amino-4-[[[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-hydroxy-methyl]-methyl-sulfonio]butanoate CAS Name: 2-amino-4-[[[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]-hydroxymethyl]-methylsulfonio]butanoate IUPAC Name: 2-amino-4-[[[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-hydroxymethyl]-methylsulfonio]butanoate Traditional Name: 4-[[[(2S,3S,5R)-5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl]-hydroxy-methyl]-methyl-sulfonio]-2-amino-butyrate Formula: C15H22N6O5S MolecularWeight: 398.43738

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC(C(=O)[O-])N)C(C1C(CC(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

C[S+](CCC(C(=O)[O-])N)C([C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)14(23)24)15(25)11-8(22)4-9(26-11)21-6-20-10-12(17)18-5-19-13(10)21/h5-9,11,15,22,25H,2-4,16H2,1H3,(H2-,17,18,19,23,24)/t7?,8-,9+,11-,15?,27?/m0/s1