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

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-pent-2-ynyl-sulfanium Openeye Name: (3-amino-4-hydroxy-4-oxo-butyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-pent-2-ynyl-sulfonium CAS Name: (3-amino-4-hydroxy-4-oxobutyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-pent-2-ynylsulfonium IUPAC Name: (3-amino-4-hydroxy-4-oxobutyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-pent-2-ynylsulfanium Traditional Name: (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl-(3-amino-4-hydroxy-4-keto-butyl)-pent-2-ynyl-sulfonium Formula: C19H27N6O5S+ MolecularWeight: 451.51988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O5S/c1-2-3-4-6-31(7-5-11(20)19(28)29)8-12-14(26)15(27)18(30-12)25-10-24-13-16(21)22-9-23-17(13)25/h9-12,14-15,18,26-27H,2,5-8,20H2,1H3,(H2-,21,22,23,28,29)/p+1