[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanyl-3-methyl-4-oxidanyl-4-oxidanylidene-butyl)-methyl-sulfanium

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanyl-3-methyl-4-oxidanyl-4-oxidanylidene-butyl)-methyl-sulfanium Openeye Name: (3-amino-4-hydroxy-3-methyl-4-oxo-butyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium CAS Name: (3-amino-4-hydroxy-3-methyl-4-oxobutyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-methylsulfonium IUPAC Name: (3-amino-4-hydroxy-3-methyl-4-oxobutyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium Traditional Name: (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl-(3-amino-4-hydroxy-4-keto-3-methyl-butyl)-methyl-sulfonium Formula: C16H25N6O5S+ MolecularWeight: 413.4719

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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)CC1C(C(C(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)/p+1