[5-(6-aminopurin-9-yl)oxolan-2-yl]methyl 2-(2,2-dimethylpropanoylsulfanyl)ethyl phosphate

Systemtic Name: [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl 2-(2,2-dimethylpropanoylsulfanyl)ethyl phosphate Openeye Name: [5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methyl 2-(2,2-dimethylpropanoylsulfanyl)ethyl phosphate CAS Name: [5-(6-aminopurin-9-yl)-2-oxolanyl]methyl 2-[(2,2-dimethyl-1-oxopropyl)thio]ethyl phosphate IUPAC Name: [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl 2-(2,2-dimethylpropanoylsulfanyl)ethyl phosphate Traditional Name: (5-adenin-9-yltetrahydrofuran-2-yl)methyl 2-(pivaloylthio)ethyl phosphate Formula: C17H25N5O6PS- MolecularWeight: 458.449061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SCCOP(=O)([O-])OCC1CCC(O1)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC(C)(C)C(=O)SCCOP(=O)([O-])OCC1CCC(O1)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C17H26N5O6PS/c1-17(2,3)16(23)30-7-6-26-29(24,25)27-8-11-4-5-12(28-11)22-10-21-13-14(18)19-9-20-15(13)22/h9-12H,4-8H2,1-3H3,(H,24,25)(H2,18,19,20)/p-1