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

Systemtic Name: N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-piperonylamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N5O4S/c1-2-13-9-19(27)24-21(22-13)26-18(10-14(25-26)17-4-3-7-31-17)23-20(28)12-5-6-15-16(8-12)30-11-29-15/h3-10H,2,11H2,1H3,(H,23,28)(H,22,24,27)