2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)-N-pyrimidin-2-yl-isoindole-5-carboxamide

Systemtic Name: 2-(2,5-dimethylphenyl)-1,3-bis(oxidanylidene)-N-pyrimidin-2-yl-isoindole-5-carboxamide Openeye Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-N-pyrimidin-2-yl-isoindoline-5-carboxamide CAS Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-N-(2-pyrimidinyl)-5-isoindolecarboxamide IUPAC Name: 2-(2,5-dimethylphenyl)-1,3-dioxo-N-pyrimidin-2-ylisoindole-5-carboxamide Traditional Name: 2-(2,5-dimethylphenyl)-1,3-diketo-N-(2-pyrimidyl)isoindoline-5-carboxamide Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H16N4O3/c1-12-4-5-13(2)17(10-12)25-19(27)15-7-6-14(11-16(15)20(25)28)18(26)24-21-22-8-3-9-23-21/h3-11H,1-2H3,(H,22,23,24,26)