2-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]thio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]thio]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S2/c1-8-9(2)27-16-14(8)15(22)18-17(19-16)26-7-12(21)10-4-5-13(25-3)11(6-10)20(23)24/h4-6H,7H2,1-3H3,(H,18,19,22)