4-azanyl-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-nitro-pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-nitro-pyrimidin-2-one Openeye Name: 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-nitro-pyrimidin-2-one CAS Name: 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-nitro-2-pyrimidinone IUPAC Name: 4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-5-nitropyrimidin-2-one Traditional Name: 4-amino-1-[(2S,5R)-2-methylol-1,3-oxathiolan-5-yl]-5-nitro-pyrimidin-2-one Formula: C8H10N4O5S MolecularWeight: 274.2538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](O[C@@H](S1)CO)N2C=C(C(=NC2=O)N)[N+](=O)[O-]

InChI

InChI=1S/C8H10N4O5S/c9-7-4(12(15)16)1-11(8(14)10-7)5-3-18-6(2-13)17-5/h1,5-6,13H,2-3H2,(H2,9,10,14)/t5-,6+/m1/s1