dimethyl 5-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-(7-thiophen-2-yl-3-pyrazolo[1,5-a]pyrimidinyl)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H16N4O5S MolecularWeight: 436.44054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CS4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C21H16N4O5S/c1-29-20(27)12-8-13(21(28)30-2)10-14(9-12)24-19(26)15-11-23-25-16(5-6-22-18(15)25)17-4-3-7-31-17/h3-11H,1-2H3,(H,24,26)