5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carboxylic acid Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O4S/c1-8-3-2-4-9(5-8)7-21(19,20)13-15-6-10(14)11(16-13)12(17)18/h2-6H,7H2,1H3,(H,17,18)