methyl 5-(1,3-benzodioxol-5-yl)-3-bromanyl-2-methyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-yl)-3-bromanyl-2-methyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-yl)-3-bromo-2-methyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-3-bromo-2-methyl-7-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-yl)-3-bromo-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-bromo-2-methyl-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid methyl ester Formula: C16H12BrN3O4 MolecularWeight: 390.18818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1Br)C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1Br)C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C16H12BrN3O4/c1-8-14(17)15-18-10(6-11(16(21)22-2)20(15)19-8)9-3-4-12-13(5-9)24-7-23-12/h3-6H,7H2,1-2H3