2-[(2-bromanyl-4-propyl-phenyl)-ethyl-amino]-6-methyl-pyrimidine-4-carboxylic acid

Systemtic Name: 2-[(2-bromanyl-4-propyl-phenyl)-ethyl-amino]-6-methyl-pyrimidine-4-carboxylic acid Openeye Name: 2-(2-bromo-N-ethyl-4-propyl-anilino)-6-methyl-pyrimidine-4-carboxylic acid CAS Name: 2-(2-bromo-N-ethyl-4-propylanilino)-6-methyl-4-pyrimidinecarboxylic acid IUPAC Name: 2-(2-bromo-N-ethyl-4-propylanilino)-6-methylpyrimidine-4-carboxylic acid Traditional Name: 2-(2-bromo-N-ethyl-4-propyl-anilino)-6-methyl-pyrimidine-4-carboxylic acid Formula: C17H20BrN3O2 MolecularWeight: 378.2636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)N(CC)C2=NC(=CC(=N2)C)C(=O)O)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)N(CC)C2=NC(=CC(=N2)C)C(=O)O)Br

InChI

InChI=1S/C17H20BrN3O2/c1-4-6-12-7-8-15(13(18)10-12)21(5-2)17-19-11(3)9-14(20-17)16(22)23/h7-10H,4-6H2,1-3H3,(H,22,23)