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

Systemtic Name: methyl 2-[(2-bromanyl-4-propyl-phenyl)-ethyl-amino]-6-methyl-pyrimidine-4-carboxylate Openeye Name: methyl 2-(2-bromo-N-ethyl-4-propyl-anilino)-6-methyl-pyrimidine-4-carboxylate CAS Name: 2-(2-bromo-N-ethyl-4-propylanilino)-6-methyl-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-bromo-N-ethyl-4-propylanilino)-6-methylpyrimidine-4-carboxylate Traditional Name: 2-(2-bromo-N-ethyl-4-propyl-anilino)-6-methyl-pyrimidine-4-carboxylic acid methyl ester Formula: C18H22BrN3O2 MolecularWeight: 392.29018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O2/c1-5-7-13-8-9-16(14(19)11-13)22(6-2)18-20-12(3)10-15(21-18)17(23)24-4/h8-11H,5-7H2,1-4H3