diethyl 5-[(3-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(3-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-bromo-2-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H17BrN4O5S MolecularWeight: 481.32038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C=CC=NC3=C2Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=NN3C=CC=NC3=C2Br

InChI

InChI=1S/C18H17BrN4O5S/c1-4-27-17(25)10-9(3)13(18(26)28-5-2)29-16(10)21-15(24)12-11(19)14-20-7-6-8-23(14)22-12/h6-8H,4-5H2,1-3H3,(H,21,24)