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

Systemtic Name: N-[2-(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-piperonylamide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C22H19N5O4S/c1-3-14-12(2)23-22(25-21(14)29)27-19(10-15(26-27)18-5-4-8-32-18)24-20(28)13-6-7-16-17(9-13)31-11-30-16/h4-10H,3,11H2,1-2H3,(H,24,28)(H,23,25,29)