
 4-Methylburimamide

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.5011   -1.0075    1.4518 C   0  0  0  0  0
    4.8484   -0.8281    0.0249 C   0  0  0  0  0
    4.4613    0.1120   -0.9129 C   0  0  0  0  0
    5.0543   -0.1482   -2.1265 N   0  0  0  0  0
    5.7788   -1.2259   -1.9402 C   0  0  0  0  0
    5.6869   -1.6752   -0.6552 N   0  0  0  0  0
    3.5293    1.2645   -0.7616 C   0  0  0  0  0
    4.2652    2.5790   -0.4884 C   0  0  0  0  0
    3.3236    3.7844   -0.3878 C   0  0  0  0  0
    2.3940    3.7105    0.8207 C   0  0  0  0  0
    1.5369    4.8843    0.9250 N   0  0  0  0  0
    0.6353    5.1153    1.9242 C   0  0  0  0  0
    0.3652    4.1349    3.2476 S   0  0  0  0  0
   -0.1113    6.2472    1.8159 N   0  0  0  0  0
   -0.1945    7.1730    0.7088 C   0  0  0  0  0
    3.4629   -1.3397    1.5511 H   0  0  0  0  0
    4.6138   -0.0643    1.9959 H   0  0  0  0  0
    5.1442   -1.7518    1.9323 H   0  0  0  0  0
    6.3809   -1.7227   -2.6891 H   0  0  0  0  0
    6.1507   -2.4910   -0.2806 H   0  0  0  0  0
    2.8278    1.0435    0.0498 H   0  0  0  0  0
    2.9320    1.3603   -1.6764 H   0  0  0  0  0
    4.9832    2.7671   -1.2972 H   0  0  0  0  0
    4.8551    2.4947    0.4334 H   0  0  0  0  0
    2.7353    3.8749   -1.3088 H   0  0  0  0  0
    3.9301    4.6965   -0.3181 H   0  0  0  0  0
    2.9797    3.6290    1.7422 H   0  0  0  0  0
    1.7355    2.8390    0.7537 H   0  0  0  0  0
    1.6305    5.5851    0.2072 H   0  0  0  0  0
   -0.7972    6.3496    2.5564 H   0  0  0  0  0
    0.8023    7.5383    0.4507 H   0  0  0  0  0
   -0.8286    8.0119    1.0071 H   0  0  0  0  0
   -0.6361    6.6586   -0.1489 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
M  END

>  <Chemical Name>
4-Methylburimamide

>  <PubChem CID>
3084972

>  <Formula>
C10H18N4S

>  <Molecular Weight>
226.342000

>  <IUPAC Name>
1-methyl-3-[4-(5-methyl-1H-imidazol-4-yl)butyl]thiourea

>  <XlogP>
0.800

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=C(N=CN1)CCCCNC(=S)NC

>  <Isomeric SMILES>
CC1=C(N=CN1)CCCCNC(=S)NC

>  <InChI Std. ID>
InChI=1S/C10H18N4S/c1-8-9(14-7-13-8)5-3-4-6-12-10(15)11-2/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)

>  <InChI Key>
UKUMBWIAJWVEDN-UHFFFAOYSA-N

