
 AC1ORZTA

 43 44  0  0  0  0  0  0  0  0999 V2000
    2.8006    3.4275    4.8253 C   0  0  0  0  0
    3.7827    3.2096    3.7024 C   0  0  0  0  0
    3.7054    3.8595    2.6669 O   0  0  0  0  0
    4.7493    2.2725    4.0266 N   0  0  0  0  0
    5.8337    1.8629    3.2241 C   0  0  0  0  0
    5.9770    2.2154    1.8794 C   0  0  0  0  0
    7.1046    1.8175    1.1572 C   0  0  0  0  0
    8.0989    1.0689    1.7869 C   0  0  0  0  0
    7.9556    0.6726    3.1162 C   0  0  0  0  0
    6.8178    1.0657    3.8282 C   0  0  0  0  0
    9.5498    0.6340    0.8698 S   0  0  0  0  0
   10.4728   -0.0515    1.7482 O   0  0  0  0  0
    9.1202    0.0682   -0.3866 O   0  0  0  0  0
   10.1989    2.1421    0.5136 N   0  0  0  0  0
   11.1598    2.6994    1.4562 C   0  0  0  0  0
   11.6265    4.0532    0.9544 C   0  0  0  0  0
   11.1787    5.1607    1.5582 C   0  0  0  0  0
   11.6646    6.4854    1.1578 C   0  0  0  0  0
   11.2748    7.4705    1.7810 O   0  0  0  0  0
   12.5564    6.5165    0.1093 N   0  0  0  0  0
   13.0488    5.3877   -0.5336 C   0  0  0  0  0
   13.8830    5.4668   -1.4373 O   0  0  0  0  0
   12.5548    4.1543   -0.0838 N   0  0  0  0  0
   13.0906    2.9553   -0.7284 C   0  0  0  0  0
   13.0785    7.8162   -0.2698 C   0  0  0  0  0
    2.5134    2.4749    5.2788 H   0  0  0  0  0
    1.8989    3.9053    4.4316 H   0  0  0  0  0
    3.2523    4.0763    5.5806 H   0  0  0  0  0
    4.7263    1.9048    4.9694 H   0  0  0  0  0
    5.2228    2.7982    1.3586 H   0  0  0  0  0
    7.2003    2.1023    0.1117 H   0  0  0  0  0
    8.7175    0.0700    3.6059 H   0  0  0  0  0
    6.7244    0.7588    4.8672 H   0  0  0  0  0
   10.3324    2.2855   -0.4845 H   0  0  0  0  0
   12.0202    2.0356    1.5821 H   0  0  0  0  0
   10.6840    2.7965    2.4397 H   0  0  0  0  0
   10.4679    5.1467    2.3760 H   0  0  0  0  0
   12.2847    2.4201   -1.2361 H   0  0  0  0  0
   13.5616    2.3138    0.0213 H   0  0  0  0  0
   13.8475    3.1892   -1.4820 H   0  0  0  0  0
   13.6003    7.7927   -1.2299 H   0  0  0  0  0
   13.7785    8.1441    0.5062 H   0  0  0  0  0
   12.2624    8.5433   -0.3283 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 33  1  0  0  0
 11 14  1  0  0  0
 11 13  2  0  0  0
 11 12  2  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 23  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 25  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 24 38  1  0  0  0
 24 39  1  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
 25 42  1  0  0  0
 25 43  1  0  0  0
M  END

>  <Chemical Name>
AC1ORZTA

>  <PubChem CID>
7711621

>  <Formula>
C15H18N4O5S

>  <Molecular Weight>
366.392000

>  <IUPAC Name>
N-[4-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylsulfamoyl]phenyl]acetamide

>  <XlogP>
-1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=O)N(C(=O)N2C)C

>  <Isomeric SMILES>
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=O)N(C(=O)N2C)C

>  <InChI Std. ID>
InChI=1S/C15H18N4O5S/c1-10(20)17-11-4-6-13(7-5-11)25(23,24)16-9-12-8-14(21)19(3)15(22)18(12)2/h4-8,16H,9H2,1-3H3,(H,17,20)

>  <InChI Key>
APGGNUNZWQEHQW-UHFFFAOYSA-N

