2-(hydroxymethyl)-6-[(4-nitropyrazol-1-yl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(hydroxymethyl)-6-[(4-nitropyrazol-1-yl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(hydroxymethyl)-6-[(4-nitropyrazol-1-yl)methyl]-1H-pyrimidin-4-one CAS Name: 2-(hydroxymethyl)-6-[(4-nitro-1-pyrazolyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(hydroxymethyl)-6-[(4-nitropyrazol-1-yl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-methylol-6-[(4-nitropyrazol-1-yl)methyl]-1H-pyrimidin-4-one Formula: C9H9N5O4 MolecularWeight: 251.19886

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=NC1=O)CO)CN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

C1=C(NC(=NC1=O)CO)CN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C9H9N5O4/c15-5-8-11-6(1-9(16)12-8)3-13-4-7(2-10-13)14(17)18/h1-2,4,15H,3,5H2,(H,11,12,16)