[2-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoylcarbamoyl]phenyl]carbamoyl-dimethyl-azanium chloride

Systemtic Name: [2-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoylcarbamoyl]phenyl]carbamoyl-dimethyl-azanium chloride Openeye Name: [2-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoylcarbamoyl]phenyl]carbamoyl-dimethyl-ammonium chloride CAS Name: [[2-[[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methylanilino]-oxomethyl]amino]-oxomethyl]anilino]-oxomethyl]-dimethylammonium chloride IUPAC Name: [2-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoylcarbamoyl]phenyl]carbamoyl-dimethylazanium chloride Traditional Name: [2-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoylcarbamoyl]phenyl]carbamoyl-dimethyl-ammonium chloride Formula: C22H22BrClN6O4 MolecularWeight: 549.80488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)[NH+](C)C)OC3=NC=C(C=N3)Br.[Cl-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)[NH+](C)C)OC3=NC=C(C=N3)Br.[Cl-]

InChI

InChI=1S/C22H21BrN6O4.ClH/c1-13-10-15(8-9-18(13)33-21-24-11-14(23)12-25-21)26-20(31)28-19(30)16-6-4-5-7-17(16)27-22(32)29(2)3;/h4-12H,1-3H3,(H,27,32)(H2,26,28,30,31);1H