(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C19H24N6O4S MolecularWeight: 432.49666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CN(C)C3=NC=CC=N3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)CN(C)C3=NC=CC=N3

InChI

InChI=1S/C19H24N6O4S/c1-3-4-10-25-16-7-6-14(30(20,27)28)11-15(16)23-17(25)13-29-18(26)12-24(2)19-21-8-5-9-22-19/h5-9,11H,3-4,10,12-13H2,1-2H3,(H2,20,27,28)