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

Systemtic Name: 2-(3-methylphenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: 2-(m-tolyl)-4-[(pyrimidin-2-ylamino)methylene]isoquinoline-1,3-dione CAS Name: 2-(3-methylphenyl)-4-[(2-pyrimidinylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(3-methylphenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(m-tolyl)-4-[(2-pyrimidylamino)methylene]isoquinoline-1,3-quinone Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=CC=N4)C2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=CC=N4)C2=O

InChI

InChI=1S/C21H16N4O2/c1-14-6-4-7-15(12-14)25-19(26)17-9-3-2-8-16(17)18(20(25)27)13-24-21-22-10-5-11-23-21/h2-13H,1H3,(H,22,23,24)