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

Systemtic Name: 4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-ethyl-sulfonio]-2-azanyl-butanoate Openeye Name: 2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-ethyl-sulfonio]butanoate CAS Name: 2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-ethylsulfonio]butanoate IUPAC Name: 2-amino-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-ethylsulfonio]butanoate Traditional Name: 4-[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]-ethyl-sulfonio]-2-amino-butyrate Formula: C15H22N6O5S MolecularWeight: 398.43738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N6O5S/c1-2-27(4-3-7(16)14(24)25)15-10(23)9(22)13(26-15)21-6-20-8-11(17)18-5-19-12(8)21/h5-7,9-10,13,15,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7?,9-,10+,13-,15-,27?/m1/s1