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

Systemtic Name: [3,5-bis(chloranyl)phenyl]methanamine; 2-methyl-4-phenyl-pyrimidine-5-carboxylic acid Openeye Name: (3,5-dichlorophenyl)methanamine; 2-methyl-4-phenyl-pyrimidine-5-carboxylic acid CAS Name: (3,5-dichlorophenyl)methanamine; 2-methyl-4-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: (3,5-dichlorophenyl)methanamine; 2-methyl-4-phenylpyrimidine-5-carboxylic acid Traditional Name: (3,5-dichlorobenzyl)amine; 2-methyl-4-phenyl-pyrimidine-5-carboxylic acid Formula: C19H17Cl2N3O2 MolecularWeight: 390.26318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O.C1=C(C=C(C=C1Cl)Cl)CN

Isomeric SMILES

CC1=NC=C(C(=N1)C2=CC=CC=C2)C(=O)O.C1=C(C=C(C=C1Cl)Cl)CN

InChI

InChI=1S/C12H10N2O2.C7H7Cl2N/c1-8-13-7-10(12(15)16)11(14-8)9-5-3-2-4-6-9;8-6-1-5(4-10)2-7(9)3-6/h2-7H,1H3,(H,15,16);1-3H,4,10H2