1-(4-aminophenyl)sulfonylurea; 4-azanyl-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 4-azanyl-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 1-(4-aminophenyl)sulfonylurea; 4-azanyl-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 4-azanyl-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; (4-aminophenyl)sulfonylurea; 4-amino-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide; (4-aminophenyl)sulfonylurea; 4-amino-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; (4-aminophenyl)sulfonylurea; 4-amino-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide; 4-amino-N-(2-pyrimidyl)benzenesulfonamide; sulfanilylurea Formula: C29H33N11O7S3 MolecularWeight: 743.83682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C.C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N.C1=CC(=CC=C1N)S(=O)(=O)NC(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C.C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N.C1=CC(=CC=C1N)S(=O)(=O)NC(=O)N

InChI

InChI=1S/C12H14N4O2S.C10H10N4O2S.C7H9N3O3S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10;8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h3-7H,13H2,1-2H3,(H,14,15,16);1-7H,11H2,(H,12,13,14);1-4H,8H2,(H3,9,10,11)