1-butyl-N,N-dimethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-N,N-dimethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-N,N-dimethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidinylthio)-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-N,N-dimethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-N,N-dimethyl-2-(thieno[2,3-d]pyrimidin-4-ylthio)benzimidazole-5-sulfonamide Formula: C19H21N5O2S3 MolecularWeight: 447.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SC3=NC=NC4=C3C=CS4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C19H21N5O2S3/c1-4-5-9-24-16-7-6-13(29(25,26)23(2)3)11-15(16)22-19(24)28-18-14-8-10-27-17(14)20-12-21-18/h6-8,10-12H,4-5,9H2,1-3H3