6-methyl-1-phenyl-5-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-5-ium-4-one

Systemtic Name: 6-methyl-1-phenyl-5-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-5-ium-4-one Openeye Name: 6-methyl-1-phenyl-5-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-5-ium-4-one CAS Name: 6-methyl-1-phenyl-5-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-5-ium-4-one IUPAC Name: 6-methyl-1-phenyl-5-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-5-ium-4-one Traditional Name: 6-methyl-1-phenyl-5-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-5-ium-4-one Formula: C17H14N5O+ MolecularWeight: 304.32596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=CNN(C2=N1)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=[N+](C(=O)C2=CNN(C2=N1)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C17H13N5O/c1-12-20-16-15(11-19-22(16)14-5-3-2-4-6-14)17(23)21(12)13-7-9-18-10-8-13/h2-11H,1H3/p+1