2-methylpropyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate hydrochloride

Systemtic Name: 2-methylpropyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate hydrochloride Openeye Name: isobutyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate hydrochloride CAS Name: 4-[(4,6-dimethyl-2-pyrimidinyl)amino]benzoic acid 2-methylpropyl ester hydrochloride IUPAC Name: 2-methylpropyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate hydrochloride Traditional Name: 4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoic acid isobutyl ester hydrochloride Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)OCC(C)C)C.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)OCC(C)C)C.Cl

InChI

InChI=1S/C17H21N3O2.ClH/c1-11(2)10-22-16(21)14-5-7-15(8-6-14)20-17-18-12(3)9-13(4)19-17;/h5-9,11H,10H2,1-4H3,(H,18,19,20);1H