2-[[6-(3,5-dimethylphenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[6-(3,5-dimethylphenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-(3,5-dimethylbenzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[6-[(3,5-dimethylphenyl)-oxomethyl]-2,4-dioxo-5-propan-2-yl-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[6-(3,5-dimethylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[6-(3,5-dimethylbenzoyl)-5-isopropyl-2,4-diketo-pyrimidin-1-yl]methyl]benzonitrile Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC=CC=C3C#N)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC=CC=C3C#N)C(C)C)C

InChI

InChI=1S/C24H23N3O3/c1-14(2)20-21(22(28)19-10-15(3)9-16(4)11-19)27(24(30)26-23(20)29)13-18-8-6-5-7-17(18)12-25/h5-11,14H,13H2,1-4H3,(H,26,29,30)