2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-butan-2-yl-ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-butan-2-yl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-butan-2-ylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-butan-2-ylacetamide Traditional Name: 2-[(4-keto-3-piperonyl-thieno[3,2-d]pyrimidin-2-yl)thio]-N-sec-butyl-acetamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=C(C(=O)N1CC3=CC4=C(C=C3)OCO4)SC=C2

InChI

InChI=1S/C20H21N3O4S2/c1-3-12(2)21-17(24)10-29-20-22-14-6-7-28-18(14)19(25)23(20)9-13-4-5-15-16(8-13)27-11-26-15/h4-8,12H,3,9-11H2,1-2H3,(H,21,24)