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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-thieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-cyclopentylacetamide Traditional Name: N-cyclopentyl-2-[(4-keto-3-piperonyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

InChI

InChI=1S/C21H21N3O4S2/c25-18(22-14-3-1-2-4-14)11-30-21-23-15-7-8-29-19(15)20(26)24(21)10-13-5-6-16-17(9-13)28-12-27-16/h5-9,14H,1-4,10-12H2,(H,22,25)