2-methylpropyl 4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoate hydrochloride

Systemtic Name: 2-methylpropyl 4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoate hydrochloride Openeye Name: isobutyl 4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzoate hydrochloride CAS Name: 4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester hydrochloride IUPAC Name: 2-methylpropyl 4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]benzoate hydrochloride Traditional Name: 4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]benzoic acid isobutyl ester hydrochloride Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S.ClH/c1-11(2)10-22-16(21)13-5-7-14(8-6-13)19-15-9-12(3)18-17(20-15)23-4;/h5-9,11H,10H2,1-4H3,(H,18,19,20);1H