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

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(4-azanyl-4-cyano-butyl)-methyl-sulfanium Openeye Name: (4-amino-4-cyano-butyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium CAS Name: (4-amino-4-cyanobutyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-methylsulfonium IUPAC Name: (4-amino-4-cyanobutyl)-[[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-(4-amino-4-cyano-butyl)-methyl-sulfonium Formula: C16H24N7O3S+ MolecularWeight: 394.47186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N7O3S/c1-27(4-2-3-9(18)5-17)6-10-12(24)13(25)16(26-10)23-8-22-11-14(19)20-7-21-15(11)23/h7-10,12-13,16,24-25H,2-4,6,18H2,1H3,(H2,19,20,21)/q+1