2-(4-chlorophenyl)-4-(cyclopropylmethylamino)-6-(2-methylpropyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-4-(cyclopropylmethylamino)-6-(2-methylpropyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-4-(cyclopropylmethylamino)-6-isobutyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-4-(cyclopropylmethylamino)-6-(2-methylpropyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-4-(cyclopropylmethylamino)-6-(2-methylpropyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-4-(cyclopropylmethylamino)-6-isobutyl-pyrimidine-5-carboxylic acid Formula: C19H22ClN3O2 MolecularWeight: 359.84988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)NCC3CC3)C(=O)O

Isomeric SMILES

CC(C)CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)NCC3CC3)C(=O)O

InChI

InChI=1S/C19H22ClN3O2/c1-11(2)9-15-16(19(24)25)18(21-10-12-3-4-12)23-17(22-15)13-5-7-14(20)8-6-13/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,24,25)(H,21,22,23)