Ketcher 04181617252D 1   1.00000     0.00000     0

 18 19  0     0  0            999 V2000
   10.6586   -7.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6586   -8.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7929   -9.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9272   -8.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9272   -7.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7929   -7.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5243   -7.3158    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0615   -9.3151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3900   -7.8156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2569   -7.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0245   -6.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0241   -6.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2573   -6.3160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1223   -7.8158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1232   -5.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9882   -7.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9887   -6.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8614   -5.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  1  7  1  0     0  0
  4  8  1  0     0  0
  9 10  1  0     0  0
  9  7  1  0     0  0
 11  7  2  0     0  0
 12  7  2  0     0  0
 13 10  1  0     0  0
 14 10  2  0     0  0
 15 13  2  0     0  0
 16 14  1  0     0  0
 17 15  1  0     0  0
 17 16  2  0     0  0
 17 18  1  0     0  0
M  END
> <ID>
CHEBI:131722

> <NAME>
sulfaperin

> <DEFINITION>
A substituted aniline that is sulfanilamide in which on of the hydrogens of the sulfonamide group has been replaced by a 5-methylpyrimidin-2-yl group.

> <STAR>
3

> <SYNONYM>
N(1)-(5-methyl-2-pyrimidinyl)sulfanilamide; methylsulfadiazine; isosulfamerazine; 5-methylsulfadiazine; 4-amino-N-(5-methyl-2-pyrimidinyl)benzenesulfonamide; 2-(sulfanilamido)-5-methylpyrimidine; 2-(p-aminobenzenesulfonamido)-5-methylpyrimidine

> <IUPAC_NAME>
4-amino-N-(5-methylpyrimidin-2-yl)benzenesulfonamide

> <INN>
sulfaperinum; sulfaperina; sulfaperin; sulfaperin

> <BRAND_NAME>
Durisan; Demosulfan; Chemiopen; Avissul; Archisulfa; Anastaf

> <FORMULA>
C11H12N4O2S

> <MASS>
264.305

> <MONOISOTOPIC_MASS>
264.06810

> <CHARGE>
0

> <SMILES>
C=1(C=CC(=CC1)N)S(NC=2N=CC(=CN2)C)(=O)=O

> <INCHI>
InChI=1S/C11H12N4O2S/c1-8-6-13-11(14-7-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)

> <INCHIKEY>
DZQVFHSCSRACSX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
599-88-2

> <REAXYS_REGISTRY_NUMBER>
249118

> <CHEMIDPLUS>
599-88-2

> <KEGG_DRUG_ACCESSION>
D07240

> <WIKIPEDIA_ACCESSION>
Sulfaperin

> <PUBMED_CITATION>
13998307; 14456012; 22279018

$$$$