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

Systemtic Name: 7-cyano-6-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-6-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-6-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thio]-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-4-keto-6-[[2-keto-2-(p-anisylamino)ethyl]thio]-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C17H13N4O4S2- MolecularWeight: 401.43952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O4S2/c1-25-10-4-2-9(3-5-10)7-19-12(22)8-26-16-11(6-18)13-14(27-16)15(23)21-17(24)20-13/h2-5H,7-8H2,1H3,(H,19,22)(H2,20,21,23,24)/p-1