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

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanyl-3-cyano-propyl)-methyl-sulfanium Openeye Name: (3-amino-3-cyano-propyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-methyl-sulfonium CAS Name: (3-amino-3-cyanopropyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl]-methylsulfonium IUPAC Name: (3-amino-3-cyanopropyl)-[[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-(3-amino-3-cyano-propyl)-methyl-sulfonium Formula: C15H22N7O3S+ MolecularWeight: 380.44528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N7O3S/c1-26(3-2-8(17)4-16)5-9-11(23)12(24)15(25-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-3,5,17H2,1H3,(H2,18,19,20)/q+1