2-(2-azanylpropanoylamino)-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]benzamide hydrochloride

Systemtic Name: 2-(2-azanylpropanoylamino)-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]benzamide hydrochloride Openeye Name: 2-(2-aminopropanoylamino)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]benzamide hydrochloride CAS Name: 2-[(2-amino-1-oxopropyl)amino]-N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methylanilino]-oxomethyl]benzamide hydrochloride IUPAC Name: 2-(2-aminopropanoylamino)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]benzamide hydrochloride Traditional Name: 2-(alanylamino)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]benzamide hydrochloride 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)C(C)N)OC3=NC=C(C=N3)Br.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)C(C)N)OC3=NC=C(C=N3)Br.Cl

InChI

InChI=1S/C22H21BrN6O4.ClH/c1-12-9-15(7-8-18(12)33-22-25-10-14(23)11-26-22)27-21(32)29-20(31)16-5-3-4-6-17(16)28-19(30)13(2)24;/h3-11,13H,24H2,1-2H3,(H,28,30)(H2,27,29,31,32);1H