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

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

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N5O4S/c1-2-4-14-10-20(28)25-22(23-14)27-19(11-15(26-27)18-5-3-8-32-18)24-21(29)13-6-7-16-17(9-13)31-12-30-16/h3,5-11H,2,4,12H2,1H3,(H,24,29)(H,23,25,28)