N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5,6-dimethyl-2-propyl-4-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: 2-[(5,6-dimethyl-2-propyl-thieno[2,3-d]pyrimidin-4-yl)thio]-N-piperonyl-acetamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=C(S2)C)C)C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=NC2=C(C(=C(S2)C)C)C(=N1)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O3S2/c1-4-5-17-23-20(19-12(2)13(3)29-21(19)24-17)28-10-18(25)22-9-14-6-7-15-16(8-14)27-11-26-15/h6-8H,4-5,9-11H2,1-3H3,(H,22,25)