2-[1-(5-fluoranyl-2-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[1-(5-fluoranyl-2-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[1-(5-fluoro-2-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[1-(5-fluoro-2-nitrophenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[1-(5-fluoro-2-nitrophenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[1-(5-fluoro-2-nitro-phenoxy)ethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H14FN3O4S MolecularWeight: 363.363463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC3=C(C=CC(=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC3=C(C=CC(=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H14FN3O4S/c1-7-9(3)25-16-13(7)15(21)18-14(19-16)8(2)24-12-6-10(17)4-5-11(12)20(22)23/h4-6,8H,1-3H3,(H,18,19,21)