2-[[4-chloranyl-6-[(4-methylsulfanylphenyl)methyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid

Systemtic Name: 2-[[4-chloranyl-6-[(4-methylsulfanylphenyl)methyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[[4-chloro-6-[(4-methylsulfanylphenyl)methyl]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid CAS Name: 2-[[4-chloro-6-[[4-(methylthio)phenyl]methyl]-2-pyrimidinyl]amino]-4-methyl-5-thiazolecarboxylic acid IUPAC Name: 2-[[4-chloro-6-[(4-methylsulfanylphenyl)methyl]pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[[4-chloro-6-[4-(methylthio)benzyl]pyrimidin-2-yl]amino]-4-methyl-thiazole-5-carboxylic acid Formula: C17H15ClN4O2S2 MolecularWeight: 406.9096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC(=CC(=N2)Cl)CC3=CC=C(C=C3)SC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC(=CC(=N2)Cl)CC3=CC=C(C=C3)SC)C(=O)O

InChI

InChI=1S/C17H15ClN4O2S2/c1-9-14(15(23)24)26-17(19-9)22-16-20-11(8-13(18)21-16)7-10-3-5-12(25-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,23,24)(H,19,20,21,22)