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

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-propyl-sulfanium Openeye Name: (3-amino-4-hydroxy-4-oxo-butyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-propyl-sulfonium CAS Name: (3-amino-4-hydroxy-4-oxobutyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-propylsulfonium IUPAC Name: (3-amino-4-hydroxy-4-oxobutyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-propylsulfanium Traditional Name: (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl-(3-amino-4-hydroxy-4-keto-butyl)-propyl-sulfonium Formula: C17H27N6O5S+ MolecularWeight: 427.49848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N6O5S/c1-2-4-29(5-3-9(18)17(26)27)6-10-12(24)13(25)16(28-10)23-8-22-11-14(19)20-7-21-15(11)23/h7-10,12-13,16,24-25H,2-6,18H2,1H3,(H2-,19,20,21,26,27)/p+1