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

Systemtic Name: 2-(4-chlorophenyl)-4-ethyl-6-(prop-2-enylamino)pyrimidine-5-carboxylic acid Openeye Name: 4-(allylamino)-2-(4-chlorophenyl)-6-ethyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-4-ethyl-6-(prop-2-enylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-4-ethyl-6-(prop-2-enylamino)pyrimidine-5-carboxylic acid Traditional Name: 4-(allylamino)-2-(4-chlorophenyl)-6-ethyl-pyrimidine-5-carboxylic acid Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O2/c1-3-9-18-15-13(16(21)22)12(4-2)19-14(20-15)10-5-7-11(17)8-6-10/h3,5-8H,1,4,9H2,2H3,(H,21,22)(H,18,19,20)