7-cyano-6-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate

Systemtic Name: 7-cyano-6-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-6-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-6-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-6-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-6-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-4-keto-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C17H12N3O5S2- MolecularWeight: 402.42428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N)OC

InChI

InChI=1S/C17H13N3O5S2/c1-24-11-4-3-8(5-12(11)25-2)10(21)7-26-16-9(6-18)13-14(27-16)15(22)20-17(23)19-13/h3-5H,7H2,1-2H3,(H2,19,20,22,23)/p-1