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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: N-cyclohexyl-2-[(4-keto-3-piperonyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

InChI

InChI=1S/C22H23N3O4S2/c26-19(23-15-4-2-1-3-5-15)12-31-22-24-16-8-9-30-20(16)21(27)25(22)11-14-6-7-17-18(10-14)29-13-28-17/h6-10,15H,1-5,11-13H2,(H,23,26)