disodium 3-methylsulfonylazanidyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidine-2-thiolate

Systemtic Name: disodium 3-methylsulfonylazanidyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidine-2-thiolate Openeye Name: disodium 3-methylsulfonylazanidyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidine-2-thiolate CAS Name: disodium 3-methylsulfonylazanidyl-4-oxo-6-phenyl-2-thieno[2,3-d]pyrimidinethiolate IUPAC Name: disodium 3-methylsulfonylazanidyl-4-oxo-6-phenylthieno[2,3-d]pyrimidine-2-thiolate Traditional Name: disodium 4-keto-3-mesylazanidyl-6-phenyl-thieno[2,3-d]pyrimidine-2-thiolate Formula: C13H9N3Na2O3S3 MolecularWeight: 397.4034

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N-]N1C(=O)C2=C(N=C1[S-])SC(=C2)C3=CC=CC=C3.[Na+].[Na+]

Isomeric SMILES

CS(=O)(=O)[N-]N1C(=O)C2=C(N=C1[S-])SC(=C2)C3=CC=CC=C3.[Na+].[Na+]

InChI

InChI=1S/C13H10N3O3S3.2Na/c1-22(18,19)15-16-12(17)9-7-10(8-5-3-2-4-6-8)21-11(9)14-13(16)20;;/h2-7H,1H3,(H,14,17,20);;/q-1;2*+1/p-1