1-butyl-2-[(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(1R)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(1R)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]thio]benzimidazole-5-sulfonamide Formula: C21H25N5O3S3 MolecularWeight: 491.6499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(C)C3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1S[C@H](C)C3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C21H25N5O3S3/c1-5-6-9-26-16-8-7-14(32(22,28)29)10-15(16)23-21(26)31-13(4)18-24-19(27)17-11(2)12(3)30-20(17)25-18/h7-8,10,13H,5-6,9H2,1-4H3,(H2,22,28,29)(H,24,25,27)/t13-/m1/s1