(4Z)-2-(3-chlorophenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-2-(3-chlorophenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-2-(3-chlorophenyl)-4-[(pyrimidin-2-ylamino)methylene]isoquinoline-1,3-dione CAS Name: (4Z)-2-(3-chlorophenyl)-4-[(2-pyrimidinylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-2-(3-chlorophenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-2-(3-chlorophenyl)-4-[(2-pyrimidylamino)methylene]isoquinoline-1,3-quinone Formula: C20H13ClN4O2 MolecularWeight: 376.79582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CNC3=NC=CC=N3)C(=O)N(C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C/NC3=NC=CC=N3)/C(=O)N(C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H13ClN4O2/c21-13-5-3-6-14(11-13)25-18(26)16-8-2-1-7-15(16)17(19(25)27)12-24-20-22-9-4-10-23-20/h1-12H,(H,22,23,24)/b17-12-