2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethyl-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethylpyrimidine-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-4-(cyclohexylamino)-6-ethyl-pyrimidine-5-carboxylic acid Formula: C19H22ClN3O2 MolecularWeight: 359.84988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)NC3CCCCC3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)NC3CCCCC3)C(=O)O

InChI

InChI=1S/C19H22ClN3O2/c1-2-15-16(19(24)25)18(21-14-6-4-3-5-7-14)23-17(22-15)12-8-10-13(20)11-9-12/h8-11,14H,2-7H2,1H3,(H,24,25)(H,21,22,23)