2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C16H22N8O2S2 MolecularWeight: 422.52828

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C16H22N8O2S2/c1-4-7-24-12-6-5-10(28(18,25)26)8-11(12)19-16(24)27-9-13-20-14(17)22-15(21-13)23(2)3/h5-6,8H,4,7,9H2,1-3H3,(H2,18,25,26)(H2,17,20,21,22)