2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-(4-nitrophenyl)acetamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N4O4S2/c1-9-10(2)27-17-15(9)16(23)19-13(20-17)7-26-8-14(22)18-11-3-5-12(6-4-11)21(24)25/h3-6H,7-8H2,1-2H3,(H,18,22)(H,19,20,23)