N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1-benzofuran-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1-benzofuran-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzofuran-3-yl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-benzofuranyl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzofuran-3-yl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C25H20N6O4S MolecularWeight: 500.5291

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=CC=CC=C4O3)NC(=O)C5=NOC(=C5)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C4=CC=CC=C4O3)NC(=O)C5=NOC(=C5)C6=CC=CS6

InChI

InChI=1S/C25H20N6O4S/c32-23(17-15-19(35-29-17)20-7-3-14-36-20)28-21-16-5-1-2-6-18(16)34-22(21)24(33)30-10-12-31(13-11-30)25-26-8-4-9-27-25/h1-9,14-15H,10-13H2,(H,28,32)