[[5-(6-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-thiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[5-(6-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-thiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-(6-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrothiophen-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-(6-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-thiolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-(6-amino-2-oxopyrimidin-1-yl)-3-hydroxythiolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[5-(6-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrothiophen-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H16N3O12P3S MolecularWeight: 483.222523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(SC1N2C(=CC=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

C1C(C(SC1N2C(=CC=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C9H16N3O12P3S/c10-7-1-2-11-9(14)12(7)8-3-5(13)6(28-8)4-22-26(18,19)24-27(20,21)23-25(15,16)17/h1-2,5-6,8,13H,3-4,10H2,(H,18,19)(H,20,21)(H2,15,16,17)