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

Systemtic Name: 2-[[6-(3,5-dimethylphenoxy)-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[6-(3,5-dimethylphenoxy)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[6-(3,5-dimethylphenoxy)-2,4-dioxo-5-propan-2-yl-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 2-[[6-(3,5-dimethylphenoxy)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl]benzonitrile Traditional Name: 2-[[6-(3,5-dimethylphenoxy)-5-isopropyl-2,4-diketo-pyrimidin-1-yl]methyl]benzonitrile Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=O)N2CC3=CC=CC=C3C#N)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C(=O)NC(=O)N2CC3=CC=CC=C3C#N)C(C)C)C

InChI

InChI=1S/C23H23N3O3/c1-14(2)20-21(27)25-23(28)26(13-18-8-6-5-7-17(18)12-24)22(20)29-19-10-15(3)9-16(4)11-19/h5-11,14H,13H2,1-4H3,(H,25,27,28)