S-[2-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxyethyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[2-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxyethyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-[[5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyethyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-[[5-(6-aminopurin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxyethyl] ester IUPAC Name: S-[2-[[5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[2-[(5-adenin-9-yltetrahydrofuran-2-yl)methoxy-hydroxy-phosphoryl]oxyethyl] ester Formula: C17H26N5O6PS MolecularWeight: 459.457001

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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)