S-[2-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxyethyl] ethanethioate

Systemtic Name: S-[2-[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxyethyl] ethanethioate Openeye Name: S-[2-[[5-(4-amino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxyethyl] ester IUPAC Name: S-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[[5-(4-amino-2-keto-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyethyl] ester Formula: C13H20N3O7PS MolecularWeight: 393.352561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOP(=O)(O)OCC1CCC(O1)N2C=CC(=NC2=O)N

Isomeric SMILES

CC(=O)SCCOP(=O)(O)OCC1CCC(O1)N2C=CC(=NC2=O)N

InChI

InChI=1S/C13H20N3O7PS/c1-9(17)25-7-6-21-24(19,20)22-8-10-2-3-12(23-10)16-5-4-11(14)15-13(16)18/h4-5,10,12H,2-3,6-8H2,1H3,(H,19,20)(H2,14,15,18)