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

Systemtic Name: 4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-sulfonio]-2-azanyl-2-methyl-butanoate Openeye Name: 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]-2-methyl-butanoate CAS Name: 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-methylsulfonio]-2-methylbutanoate IUPAC Name: 2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]-2-methylbutanoate Traditional Name: 4-[[(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]-2-amino-2-methyl-butyrate Formula: C16H24N6O5S MolecularWeight: 412.46396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N6O5S/c1-16(18,15(25)26)3-4-28(2)5-8-10(23)11(24)14(27-8)22-7-21-9-12(17)19-6-20-13(9)22/h6-8,10-11,14,23-24H,3-5,18H2,1-2H3,(H2-,17,19,20,25,26)/t8-,10-,11-,14-,16?,28?/m1/s1