ethyl 5-aminocarbonyl-2-[(3-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[(3-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-bromo-2-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H14BrN5O4S MolecularWeight: 452.28246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrN5O4S/c1-3-26-16(25)8-7(2)11(12(18)23)27-15(8)20-14(24)10-9(17)13-19-5-4-6-22(13)21-10/h4-6H,3H2,1-2H3,(H2,18,23)(H,20,24)