2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-1-butyl-N,N-dimethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1-butyl-N,N-dimethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-1-butyl-N,N-dimethyl-benzimidazole-5-sulfonamide Formula: C22H26N6O2S2 MolecularWeight: 470.61084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H26N6O2S2/c1-4-5-12-28-19-11-10-15(32(29,30)27(2)3)13-18(19)25-22(28)31-14-20-24-17-9-7-6-8-16(17)21(23)26-20/h6-11,13H,4-5,12,14H2,1-3H3,(H2,23,24,26)