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

Systemtic Name: (4E)-2-(3-methoxyphenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-(3-methoxyphenyl)-4-[(pyrimidin-2-ylamino)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-(3-methoxyphenyl)-4-[(2-pyrimidinylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(3-methoxyphenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-2-(3-methoxyphenyl)-4-[(2-pyrimidylamino)methylene]isoquinoline-1,3-quinone Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=NC=CC=N4)C2=O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3/C(=C\NC4=NC=CC=N4)/C2=O

InChI

InChI=1S/C21H16N4O3/c1-28-15-7-4-6-14(12-15)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)/b18-13+