[5-(4-azanyl-5-oxidanyl-2-sulfanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-nitro-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(4-azanyl-5-oxidanyl-2-sulfanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-nitro-oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(4-amino-5-hydroxy-2-thioxo-pyrimidin-1-yl)-2-(hydroxymethyl)-4-nitro-tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(4-amino-5-hydroxy-2-sulfanylidene-1-pyrimidinyl)-2-(hydroxymethyl)-4-nitro-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(4-amino-5-hydroxy-2-sulfanylidenepyrimidin-1-yl)-2-(hydroxymethyl)-4-nitrooxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(4-amino-5-hydroxy-2-thioxo-pyrimidin-1-yl)-2-methylol-4-nitro-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C9H13N4O9PS MolecularWeight: 384.259681

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=S)N1C2C(C(C(O2)CO)OP(=O)(O)O)[N+](=O)[O-])N)O

Isomeric SMILES

C1=C(C(=NC(=S)N1C2C(C(C(O2)CO)OP(=O)(O)O)[N+](=O)[O-])N)O

InChI

InChI=1S/C9H13N4O9PS/c10-7-3(15)1-12(9(24)11-7)8-5(13(16)17)6(4(2-14)21-8)22-23(18,19)20/h1,4-6,8,14-15H,2H2,(H2,10,11,24)(H2,18,19,20)