[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CN(C)C2=NC=CC=N2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CN(C)C2=NC=CC=N2)Br

InChI

InChI=1S/C16H17BrN4O3/c1-11-8-12(4-5-13(11)17)20-14(22)10-24-15(23)9-21(2)16-18-6-3-7-19-16/h3-8H,9-10H2,1-2H3,(H,20,22)