[3,5-bis(chloranyl)phenyl]methanamine; 4-phenyl-2-propyl-pyrimidine-5-carboxylic acid

Systemtic Name: [3,5-bis(chloranyl)phenyl]methanamine; 4-phenyl-2-propyl-pyrimidine-5-carboxylic acid Openeye Name: (3,5-dichlorophenyl)methanamine; 4-phenyl-2-propyl-pyrimidine-5-carboxylic acid CAS Name: (3,5-dichlorophenyl)methanamine; 4-phenyl-2-propyl-5-pyrimidinecarboxylic acid IUPAC Name: (3,5-dichlorophenyl)methanamine; 4-phenyl-2-propylpyrimidine-5-carboxylic acid Traditional Name: (3,5-dichlorobenzyl)amine; 4-phenyl-2-propyl-pyrimidine-5-carboxylic acid Formula: C21H21Cl2N3O2 MolecularWeight: 418.31634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O.C1=C(C=C(C=C1Cl)Cl)CN

Isomeric SMILES

CCCC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O.C1=C(C=C(C=C1Cl)Cl)CN

InChI

InChI=1S/C14H14N2O2.C7H7Cl2N/c1-2-6-12-15-9-11(14(17)18)13(16-12)10-7-4-3-5-8-10;8-6-1-5(4-10)2-7(9)3-6/h3-5,7-9H,2,6H2,1H3,(H,17,18);1-3H,4,10H2