(4-azanylquinazolin-2-yl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propanoate CAS Name: 3-[5-(dimethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate Traditional Name: 3-[5-(dimethylsulfamoyl)-1-methyl-benzimidazol-2-yl]propionic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H24N6O4S/c1-27(2)33(30,31)14-8-9-18-17(12-14)25-20(28(18)3)10-11-21(29)32-13-19-24-16-7-5-4-6-15(16)22(23)26-19/h4-9,12H,10-11,13H2,1-3H3,(H2,23,24,26)