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

Systemtic Name: 7-cyano-6-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 7-cyano-6-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 7-cyano-6-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 7-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 7-cyano-6-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-4-keto-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C17H13N4O3S2- MolecularWeight: 385.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C3=C(S2)C(=O)N=C(N3)[O-])C#N

InChI

InChI=1S/C17H14N4O3S2/c1-8-4-3-5-9(2)12(8)19-11(22)7-25-16-10(6-18)13-14(26-16)15(23)21-17(24)20-13/h3-5H,7H2,1-2H3,(H,19,22)(H2,20,21,23,24)/p-1