2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C18H18N6O2S2/c1-2-24-15-8-7-11(28(20,25)26)9-14(15)22-18(24)27-10-16-21-13-6-4-3-5-12(13)17(19)23-16/h3-9H,2,10H2,1H3,(H2,19,21,23)(H2,20,25,26)