(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 2-methyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic 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-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C=CC=NC2=C1C(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

CC1=NN2C=CC=NC2=C1C(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C17H14BrN3O4/c1-10-15(16-19-3-2-4-21(16)20-10)17(22)25-9-11-7-13-14(8-12(11)18)24-6-5-23-13/h2-4,7-8H,5-6,9H2,1H3