2-[4-(2-methyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(2-methyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(2-methyl-6-oxo-4-phenyl-pyrimidin-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(2-methyl-6-oxo-4-phenyl-1-pyrimidinyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(6-keto-2-methyl-4-phenyl-pyrimidin-1-yl)butyl]isoindoline-1,3-quinone Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=O)N1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=O)N1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c1-16-24-20(17-9-3-2-4-10-17)15-21(27)25(16)13-7-8-14-26-22(28)18-11-5-6-12-19(18)23(26)29/h2-6,9-12,15H,7-8,13-14H2,1H3