1,3-dimethyl-6-(5-nitro-2-propoxy-phenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1,3-dimethyl-6-(5-nitro-2-propoxy-phenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1,3-dimethyl-6-(5-nitro-2-propoxy-phenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1,3-dimethyl-6-(5-nitro-2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1,3-dimethyl-6-(5-nitro-2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1,3-dimethyl-6-(5-nitro-2-propoxy-phenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=C(NN(C3=N2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C2=NC(=O)C3=C(NN(C3=N2)C)C

InChI

InChI=1S/C16H17N5O4/c1-4-7-25-12-6-5-10(21(23)24)8-11(12)14-17-15-13(16(22)18-14)9(2)19-20(15)3/h5-6,8,19H,4,7H2,1-3H3