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

Systemtic Name: 6-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-7-cyano-4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-olate Openeye Name: 6-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate CAS Name: 6-[[2-(1-adamantyl)-2-oxoethyl]thio]-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate IUPAC Name: 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-7-cyano-4-oxo-1H-thieno[3,2-d]pyrimidin-2-olate Traditional Name: 6-[[2-(1-adamantyl)-2-keto-ethyl]thio]-7-cyano-4-keto-1H-thieno[3,2-d]pyrimidin-2-olate Formula: C19H18N3O3S2- MolecularWeight: 400.49452

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C5=C(S4)C(=O)N=C(N5)[O-])C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=C(C5=C(S4)C(=O)N=C(N5)[O-])C#N

InChI

InChI=1S/C19H19N3O3S2/c20-7-12-14-15(16(24)22-18(25)21-14)27-17(12)26-8-13(23)19-4-9-1-10(5-19)3-11(2-9)6-19/h9-11H,1-6,8H2,(H2,21,22,24,25)/p-1