dimethyl 2-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzene-1,4-dicarboxylate hydrochloride

Systemtic Name: dimethyl 2-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzene-1,4-dicarboxylate hydrochloride Openeye Name: dimethyl 2-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]benzene-1,4-dicarboxylate hydrochloride CAS Name: 2-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester hydrochloride IUPAC Name: dimethyl 2-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]benzene-1,4-dicarboxylate hydrochloride Traditional Name: 2-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]benzene-1,4-dicarboxylic acid dimethyl ester hydrochloride Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S.ClH/c1-9-7-13(19-16(17-9)24-4)18-12-8-10(14(20)22-2)5-6-11(12)15(21)23-3;/h5-8H,1-4H3,(H,17,18,19);1H