N-[2-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-oxo-6-phenyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-keto-6-phenyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-piperonylamide Formula: C25H17N5O4S MolecularWeight: 483.49858

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=NN3C4=NC(=O)C=C(N4)C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC(=NN3C4=NC(=O)C=C(N4)C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C25H17N5O4S/c31-23-13-17(15-5-2-1-3-6-15)26-25(28-23)30-22(12-18(29-30)21-7-4-10-35-21)27-24(32)16-8-9-19-20(11-16)34-14-33-19/h1-13H,14H2,(H,27,32)(H,26,28,31)