1-(2,4-dinitrophenyl)-6-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2,4-dinitrophenyl)-6-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2,4-dinitrophenyl)-6-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2,4-dinitrophenyl)-6-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2,4-dinitrophenyl)-6-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2,4-dinitrophenyl)-6-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12N6O5 MolecularWeight: 392.32508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=O)C3=CNN(C3=N2)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=O)C3=CNN(C3=N2)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O5/c1-10-2-4-11(5-3-10)16-20-17-13(18(25)21-16)9-19-22(17)14-7-6-12(23(26)27)8-15(14)24(28)29/h2-9,19H,1H3