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

Systemtic Name: (4Z)-2-(3,4-dimethoxyphenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-2-(3,4-dimethoxyphenyl)-4-[(pyrimidin-2-ylamino)methylene]isoquinoline-1,3-dione CAS Name: (4Z)-2-(3,4-dimethoxyphenyl)-4-[(2-pyrimidinylamino)methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-2-(3,4-dimethoxyphenyl)-4-[(pyrimidin-2-ylamino)methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-2-(3,4-dimethoxyphenyl)-4-[(2-pyrimidylamino)methylene]isoquinoline-1,3-quinone Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O4/c1-29-18-9-8-14(12-19(18)30-2)26-20(27)16-7-4-3-6-15(16)17(21(26)28)13-25-22-23-10-5-11-24-22/h3-13H,1-2H3,(H,23,24,25)/b17-13-