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

Systemtic Name: 2-(4-chlorophenyl)-4-(cyclopentylamino)-6-(2-methylpropyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-4-(cyclopentylamino)-6-isobutyl-pyrimidine-5-carboxylic acid CAS Name: 2-(4-chlorophenyl)-4-(cyclopentylamino)-6-(2-methylpropyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-4-(cyclopentylamino)-6-(2-methylpropyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-4-(cyclopentylamino)-6-isobutyl-pyrimidine-5-carboxylic acid Formula: C20H24ClN3O2 MolecularWeight: 373.87646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)NC3CCCC3)C(=O)O

Isomeric SMILES

CC(C)CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)NC3CCCC3)C(=O)O

InChI

InChI=1S/C20H24ClN3O2/c1-12(2)11-16-17(20(25)26)19(22-15-5-3-4-6-15)24-18(23-16)13-7-9-14(21)10-8-13/h7-10,12,15H,3-6,11H2,1-2H3,(H,25,26)(H,22,23,24)