[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-sulfanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-sulfanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[5-(4-amino-2-oxo-pyrimidin-1-yl)-3-sulfanyl-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[5-(4-amino-2-oxo-1-pyrimidinyl)-3-mercapto-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[5-(4-amino-2-oxopyrimidin-1-yl)-3-sulfanyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[5-(4-amino-2-keto-pyrimidin-1-yl)-3-mercapto-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H16N3O12P3S MolecularWeight: 483.222523

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)S

Isomeric SMILES

C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)S

InChI

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