2-(cyclohexylamino)-6-(4-methylsulfonylphenyl)pyrimidine-4-carboxylic acid

Systemtic Name: 2-(cyclohexylamino)-6-(4-methylsulfonylphenyl)pyrimidine-4-carboxylic acid Openeye Name: 2-(cyclohexylamino)-6-(4-methylsulfonylphenyl)pyrimidine-4-carboxylic acid CAS Name: 2-(cyclohexylamino)-6-(4-methylsulfonylphenyl)-4-pyrimidinecarboxylic acid IUPAC Name: 2-(cyclohexylamino)-6-(4-methylsulfonylphenyl)pyrimidine-4-carboxylic acid Traditional Name: 2-(cyclohexylamino)-6-(4-mesylphenyl)pyrimidine-4-carboxylic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NC(=N2)NC3CCCCC3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NC(=N2)NC3CCCCC3)C(=O)O

InChI

InChI=1S/C18H21N3O4S/c1-26(24,25)14-9-7-12(8-10-14)15-11-16(17(22)23)21-18(20-15)19-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,22,23)(H,19,20,21)