[4-oxidanyl-5-(4-oxidanylidene-5-propyl-2-sulfanylidene-pyrimidin-1-yl)-2-(phosphonooxymethyl)thiolan-3-yl] dihydrogen phosphate

Systemtic Name: [4-oxidanyl-5-(4-oxidanylidene-5-propyl-2-sulfanylidene-pyrimidin-1-yl)-2-(phosphonooxymethyl)thiolan-3-yl] dihydrogen phosphate Openeye Name: [4-hydroxy-5-(4-oxo-5-propyl-2-thioxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrothiophen-3-yl] dihydrogen phosphate CAS Name: [4-hydroxy-5-(4-oxo-5-propyl-2-sulfanylidene-1-pyrimidinyl)-2-(phosphonooxymethyl)-3-thiolanyl] dihydrogen phosphate IUPAC Name: [4-hydroxy-5-(4-oxo-5-propyl-2-sulfanylidenepyrimidin-1-yl)-2-(phosphonooxymethyl)thiolan-3-yl] dihydrogen phosphate Traditional Name: [4-hydroxy-5-(4-keto-5-propyl-2-thioxo-pyrimidin-1-yl)-2-(phosphonooxymethyl)tetrahydrothiophen-3-yl] dihydrogen phosphate Formula: C12H20N2O10P2S2 MolecularWeight: 478.372122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C(=S)NC1=O)C2C(C(C(S2)COP(=O)(O)O)OP(=O)(O)O)O

Isomeric SMILES

CCCC1=CN(C(=S)NC1=O)C2C(C(C(S2)COP(=O)(O)O)OP(=O)(O)O)O

InChI

InChI=1S/C12H20N2O10P2S2/c1-2-3-6-4-14(12(27)13-10(6)16)11-8(15)9(24-26(20,21)22)7(28-11)5-23-25(17,18)19/h4,7-9,11,15H,2-3,5H2,1H3,(H,13,16,27)(H2,17,18,19)(H2,20,21,22)