N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(methylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(methylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(methylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-[(methylthio)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-2-(methylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-5-methyl-2-[(methylthio)methyl]-N-piperonyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O4S2/c1-9-14-16(22)20-13(7-26-2)21-18(14)27-15(9)17(23)19-6-10-3-4-11-12(5-10)25-8-24-11/h3-5H,6-8H2,1-2H3,(H,19,23)(H,20,21,22)