N-(1,3-benzodioxol-5-ylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-(4-thieno[3,2-d]pyrimidinylthio)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(thieno[3,2-d]pyrimidin-4-ylthio)acetamide Formula: C16H12N4O4S2 MolecularWeight: 388.42088

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CSC3=NC=NC4=C3SC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC(=O)CSC3=NC=NC4=C3SC=C4

InChI

InChI=1S/C16H12N4O4S2/c21-13(6-26-15-14-10(3-4-25-14)17-7-18-15)20-16(22)19-9-1-2-11-12(5-9)24-8-23-11/h1-5,7H,6,8H2,(H2,19,20,21,22)