[2-[1-(6-aminopurin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl]-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-methyl-sulfanium

Systemtic Name: [2-[1-(6-aminopurin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanylidene-propyl]-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-methyl-sulfanium Openeye Name: (3-amino-4-hydroxy-4-oxo-butyl)-[2-[1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-oxo-propyl]-methyl-sulfonium CAS Name: (3-amino-4-hydroxy-4-oxobutyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfonium IUPAC Name: (3-amino-4-hydroxy-4-oxobutyl)-[2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-oxopropyl]-methylsulfanium Traditional Name: [2-(1-adenin-9-yl-2-keto-ethoxy)-3-keto-propyl]-(3-amino-4-hydroxy-4-keto-butyl)-methyl-sulfonium Formula: C15H21N6O5S+ MolecularWeight: 397.42944

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CCC(C(=O)O)N)CC(C=O)OC(C=O)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

C[S+](CCC(C(=O)O)N)CC(C=O)OC(C=O)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C15H20N6O5S/c1-27(3-2-10(16)15(24)25)6-9(4-22)26-11(5-23)21-8-20-12-13(17)18-7-19-14(12)21/h4-5,7-11H,2-3,6,16H2,1H3,(H2-,17,18,19,24,25)/p+1