ethyl 4-azanyl-2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N6O4S2 MolecularWeight: 464.56166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=C(C(=N3)N)C(=O)OCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=C(C(=N3)N)C(=O)OCC

InChI

InChI=1S/C19H24N6O4S2/c1-3-5-8-25-15-7-6-12(31(21,27)28)9-14(15)23-16(25)11-30-19-22-10-13(17(20)24-19)18(26)29-4-2/h6-7,9-10H,3-5,8,11H2,1-2H3,(H2,20,22,24)(H2,21,27,28)