N-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(4-oxo-5-thiophen-2-yl-3-thieno[2,3-d]pyrimidinyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-3-yl]-piperonylamide Formula: C18H11N3O4S2 MolecularWeight: 397.42764

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

InChI

InChI=1S/C18H11N3O4S2/c22-16(10-3-4-12-13(6-10)25-9-24-12)20-21-8-19-17-15(18(21)23)11(7-27-17)14-2-1-5-26-14/h1-8H,9H2,(H,20,22)