[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-but-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)-but-2-ynyl-sulfanium Openeye Name: (3-amino-4-hydroxy-4-oxo-butyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-but-2-ynyl-sulfonium CAS Name: (3-amino-4-hydroxy-4-oxobutyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-but-2-ynylsulfonium IUPAC Name: (3-amino-4-hydroxy-4-oxobutyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-but-2-ynylsulfanium Traditional Name: (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl-(3-amino-4-hydroxy-4-keto-butyl)-but-2-ynyl-sulfonium Formula: C18H25N6O5S+ MolecularWeight: 437.4933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O5S/c1-2-3-5-30(6-4-10(19)18(27)28)7-11-13(25)14(26)17(29-11)24-9-23-12-15(20)21-8-22-16(12)24/h8-11,13-14,17,25-26H,4-7,19H2,1H3,(H2-,20,21,22,27,28)/p+1