(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C16H16BrN3O4 MolecularWeight: 394.21994

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC1=CC2=C(C=C1Br)OCCO2)C3=NC=CC=N3

Isomeric SMILES

CN(CC(=O)OCC1=CC2=C(C=C1Br)OCCO2)C3=NC=CC=N3

InChI

InChI=1S/C16H16BrN3O4/c1-20(16-18-3-2-4-19-16)9-15(21)24-10-11-7-13-14(8-12(11)17)23-6-5-22-13/h2-4,7-8H,5-6,9-10H2,1H3