propyl 5-aminocarbonyl-2-[[7-(4-bromanyl-1-ethyl-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: propyl 5-aminocarbonyl-2-[[7-(4-bromanyl-1-ethyl-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: propyl 2-[[7-(4-bromo-1-ethyl-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[7-(4-bromo-1-ethyl-3-pyrazolyl)-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[7-(4-bromo-1-ethyl-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid propyl ester Formula: C22H22BrN7O4S MolecularWeight: 560.42358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN3C(=CC=NC3=C2)C4=NN(C=C4Br)CC

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C2=NN3C(=CC=NC3=C2)C4=NN(C=C4Br)CC

InChI

InChI=1S/C22H22BrN7O4S/c1-4-8-34-22(33)16-11(3)18(19(24)31)35-21(16)26-20(32)13-9-15-25-7-6-14(30(15)27-13)17-12(23)10-29(5-2)28-17/h6-7,9-10H,4-5,8H2,1-3H3,(H2,24,31)(H,26,32)