1-butyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C21H25N5O2S3 MolecularWeight: 475.6505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=NC4=C3C(=C(S4)C)C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=NC4=C3C(=C(S4)C)C)C

InChI

InChI=1S/C21H25N5O2S3/c1-5-6-9-26-17-8-7-15(31(22,27)28)10-16(17)25-18(26)11-29-20-19-12(2)13(3)30-21(19)24-14(4)23-20/h7-8,10H,5-6,9,11H2,1-4H3,(H2,22,27,28)