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

Systemtic Name: ethyl 2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C18H23N7O2S MolecularWeight: 401.48592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C18H23N7O2S/c1-5-25-13-8-7-11(15(26)27-6-2)9-12(13)20-18(25)28-10-14-21-16(19)23-17(22-14)24(3)4/h7-9H,5-6,10H2,1-4H3,(H2,19,21,22,23)