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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)ethanesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)ethanesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethanesulfonamide Traditional Name: 2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)-N-piperonyl-ethanesulfonamide Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCS(=O)(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCS(=O)(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H19N3O5S2/c1-11-12(2)27-17-16(11)18(22)21(9-19-17)5-6-28(23,24)20-8-13-3-4-14-15(7-13)26-10-25-14/h3-4,7,9,20H,5-6,8,10H2,1-2H3