ethyl (2R)-2-[(3-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(3-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(3-bromo-2-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(3-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C12H13BrN4O3S MolecularWeight: 373.22562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN2C=CC=NC2=C1Br

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN2C=CC=NC2=C1Br

InChI

InChI=1S/C12H13BrN4O3S/c1-2-20-12(19)7(6-21)15-11(18)9-8(13)10-14-4-3-5-17(10)16-9/h3-5,7,21H,2,6H2,1H3,(H,15,18)/t7-/m0/s1