4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride

Systemtic Name: 4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]benzoic acid hydrochloride CAS Name: 4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]benzoic acid hydrochloride Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3.Cl

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C18H15N3O2S.ClH/c1-24-18-20-15(12-5-3-2-4-6-12)11-16(21-18)19-14-9-7-13(8-10-14)17(22)23;/h2-11H,1H3,(H,22,23)(H,19,20,21);1H