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

Systemtic Name: [5-(4-azanyl-5-nitro-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-thiolan-3-yl] dihydrogen phosphate Openeye Name: [5-(4-amino-5-nitro-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrothiophen-3-yl] dihydrogen phosphate CAS Name: [5-(4-amino-5-nitro-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-thiolanyl] dihydrogen phosphate IUPAC Name: [5-(4-amino-5-nitro-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)thiolan-3-yl] dihydrogen phosphate Traditional Name: [5-(4-amino-2-keto-5-nitro-pyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrothiophen-3-yl] dihydrogen phosphate Formula: C9H13N4O9PS MolecularWeight: 384.259681

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NC(=O)N1C2C(C(C(S2)CO)OP(=O)(O)O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C(=NC(=O)N1C2C(C(C(S2)CO)OP(=O)(O)O)O)N)[N+](=O)[O-]

InChI

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