5-(2-ethoxy-5-nitro-pyridin-3-yl)-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-(2-ethoxy-5-nitro-pyridin-3-yl)-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(2-ethoxy-5-nitro-3-pyridyl)-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-(2-ethoxy-5-nitro-3-pyridinyl)-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(2-ethoxy-5-nitropyridin-3-yl)-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(2-ethoxy-5-nitro-3-pyridyl)-2-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C13H12N6O4 MolecularWeight: 316.27218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C=C3N2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C=C3N2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N6O4/c1-3-23-13-8(4-7(5-14-13)19(21)22)11-15-9-6-18(2)17-10(9)12(20)16-11/h4-6H,3H2,1-2H3,(H,15,16,20)