(4E)-2-phenyl-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-2-phenyl-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-phenyl-4-[(pyrimidin-2-ylamino)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-phenyl-4-[(2-pyrimidinylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-phenyl-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-2-phenyl-4-[(2-pyrimidylamino)methylene]isoquinoline-1,3-quinone Formula: C20H14N4O2 MolecularWeight: 342.35076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=CC=N4)C2=O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3/C(=C\NC4=NC=CC=N4)/C2=O

InChI

InChI=1S/C20H14N4O2/c25-18-16-10-5-4-9-15(16)17(13-23-20-21-11-6-12-22-20)19(26)24(18)14-7-2-1-3-8-14/h1-13H,(H,21,22,23)/b17-13+