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

Systemtic Name: 4-[[6-(3-chloranyl-5-methyl-phenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]methyl]pyridine-2-carbonitrile Openeye Name: 4-[[6-(3-chloro-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]methyl]pyridine-2-carbonitrile CAS Name: 4-[[6-[(3-chloro-5-methylphenyl)-oxomethyl]-2,4-dioxo-5-propan-2-yl-1-pyrimidinyl]methyl]-2-pyridinecarbonitrile IUPAC Name: 4-[[6-(3-chloro-5-methylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl]pyridine-2-carbonitrile Traditional Name: 4-[[6-(3-chloro-5-methyl-benzoyl)-5-isopropyl-2,4-diketo-pyrimidin-1-yl]methyl]picolinonitrile Formula: C22H19ClN4O3 MolecularWeight: 422.86426

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4O3/c1-12(2)18-19(20(28)15-6-13(3)7-16(23)9-15)27(22(30)26-21(18)29)11-14-4-5-25-17(8-14)10-24/h4-9,12H,11H2,1-3H3,(H,26,29,30)