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

Systemtic Name: 1-methyl-6-(4-methyl-3-nitro-phenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-methyl-6-(4-methyl-3-nitro-phenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-methyl-6-(4-methyl-3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-methyl-6-(4-methyl-3-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-methyl-6-(4-methyl-3-nitro-phenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=O)C3=CNN(C3=N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=O)C3=CNN(C3=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3/c1-7-3-4-8(5-10(7)18(20)21)11-15-12-9(13(19)16-11)6-14-17(12)2/h3-6,14H,1-2H3