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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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