2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-N-(4-fluoro-3-nitrophenyl)acetamide IUPAC Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-N-(4-fluoro-3-nitro-phenyl)acetamide Formula: C16H13FN4O3S2 MolecularWeight: 392.427823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN4O3S2/c1-8-9(2)26-16-14(8)15(18-7-19-16)25-6-13(22)20-10-3-4-11(17)12(5-10)21(23)24/h3-5,7H,6H2,1-2H3,(H,20,22)