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

Systemtic Name: 4-[[6-(3-chloranyl-5-methyl-phenyl)carbonyl-2,4-bis(oxidanylidene)-5-propan-2-yl-pyrimidin-1-yl]methyl]pyridine-3-carboxamide Openeye Name: 4-[[6-(3-chloro-5-methyl-benzoyl)-5-isopropyl-2,4-dioxo-pyrimidin-1-yl]methyl]pyridine-3-carboxamide CAS Name: 4-[[6-[(3-chloro-5-methylphenyl)-oxomethyl]-2,4-dioxo-5-propan-2-yl-1-pyrimidinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 4-[[6-(3-chloro-5-methylbenzoyl)-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl]methyl]pyridine-3-carboxamide Traditional Name: 4-[[6-(3-chloro-5-methyl-benzoyl)-5-isopropyl-2,4-diketo-pyrimidin-1-yl]methyl]nicotinamide Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O4/c1-11(2)17-18(19(28)14-6-12(3)7-15(23)8-14)27(22(31)26-21(17)30)10-13-4-5-25-9-16(13)20(24)29/h4-9,11H,10H2,1-3H3,(H2,24,29)(H,26,30,31)