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

Systemtic Name: 4-[[6-(3,5-dimethylphenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]methyl]pyridine-2-carbonitrile Openeye Name: 4-[[6-(3,5-dimethylbenzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]methyl]pyridine-2-carbonitrile CAS Name: 4-[[6-[(3,5-dimethylphenyl)-oxomethyl]-2,4-dioxo-5-propan-2-yl-1-pyrimidinyl]methyl]-2-pyridinecarbonitrile IUPAC Name: 4-[[6-(3,5-dimethylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl]pyridine-2-carbonitrile Traditional Name: 4-[[6-(3,5-dimethylbenzoyl)-5-isopropyl-2,4-diketo-pyrimidin-1-yl]methyl]picolinonitrile Formula: C23H22N4O3 MolecularWeight: 402.44578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)C#N)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=C(C(=O)NC(=O)N2CC3=CC(=NC=C3)C#N)C(C)C)C

InChI

InChI=1S/C23H22N4O3/c1-13(2)19-20(21(28)17-8-14(3)7-15(4)9-17)27(23(30)26-22(19)29)12-16-5-6-25-18(10-16)11-24/h5-10,13H,12H2,1-4H3,(H,26,29,30)