2-(4,6-dimethylpyrimidin-2-yl)-4-(4-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-3-one

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)-4-(4-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-3-one Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)-4-(4-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-3-one CAS Name: 2-(4,6-dimethyl-2-pyrimidinyl)-4-(4-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-3-one IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)-4-(4-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-3-one Traditional Name: 2-(4,6-dimethylpyrimidin-2-yl)-4-(4-nitrophenyl)-1H-pyrazolo[3,4-b]pyridin-3-one Formula: C18H14N6O3 MolecularWeight: 362.34216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)C3=C(C=CN=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)C3=C(C=CN=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C18H14N6O3/c1-10-9-11(2)21-18(20-10)23-17(25)15-14(7-8-19-16(15)22-23)12-3-5-13(6-4-12)24(26)27/h3-9H,1-2H3,(H,19,22)