
 [11C]MMTP

 41 44  0  0  0  0  0  0  0  0999 V2000
    1.0083   -0.2138    0.5880 C   0  0  0  0  0
    2.3694   -0.1826    0.0764 N   0  0  0  0  0
    2.5946   -1.0132   -1.1112 C   0  0  0  0  0
    3.0802    1.0455    0.0460 C   0  0  0  0  0
    2.5806    2.3930   -0.0051 C   0  0  0  0  0
    1.2867    3.0347   -0.0897 C   0  0  0  0  0
    1.3335    4.4021   -0.1081 C   0  0  0  0  0
    0.1746    5.2542   -0.1691 C   0  0  0  0  0
    0.2647    6.4756   -0.2989 O   0  0  0  0  0
   -1.0355    4.5422   -0.1213 N   0  0  0  0  0
   -0.9920    3.1547   -0.1343 C   0  0  0  0  0
    0.0507    2.3796   -0.1406 N   0  0  0  0  0
   -2.3062    5.2295   -0.0850 C   0  0  0  0  0
   -2.4309    6.5148    0.4688 C   0  0  0  0  0
   -3.6652    7.1815    0.5269 C   0  0  0  0  0
   -4.8139    6.5751    0.0337 C   0  0  0  0  0
   -4.7129    5.3001   -0.5175 C   0  0  0  0  0
   -3.4795    4.6360   -0.5789 C   0  0  0  0  0
   -6.0718    7.1073    0.0310 O   0  0  0  0  0
   -6.2116    8.4285    0.5405 C   0  0  0  0  0
    2.9110    4.9930   -0.0620 S   0  0  0  0  0
    3.5476    3.4109    0.0010 C   0  0  0  0  0
    4.8878    3.2830    0.0517 N   0  0  0  0  0
    5.3145    2.0204    0.1116 C   0  0  0  0  0
    4.4891    0.9166    0.1124 C   0  0  0  0  0
    0.8707    0.4599    1.4395 H   0  0  0  0  0
    0.7918   -1.2224    0.9601 H   0  0  0  0  0
    0.2785   -0.0115   -0.2007 H   0  0  0  0  0
    1.9806   -1.9201   -1.0671 H   0  0  0  0  0
    3.6352   -1.3480   -1.1800 H   0  0  0  0  0
    2.3327   -0.4734   -2.0282 H   0  0  0  0  0
   -1.9682    2.6524   -0.1048 H   0  0  0  0  0
   -1.5786    7.0321    0.9042 H   0  0  0  0  0
   -3.6846    8.1717    0.9713 H   0  0  0  0  0
   -5.6033    4.8184   -0.9164 H   0  0  0  0  0
   -3.4757    3.6662   -1.0678 H   0  0  0  0  0
   -7.2653    8.7107    0.4534 H   0  0  0  0  0
   -5.6255    9.1427   -0.0475 H   0  0  0  0  0
   -5.9418    8.4731    1.6008 H   0  0  0  0  0
    6.3930    1.9008    0.1704 H   0  0  0  0  0
    4.9405   -0.0677    0.1986 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  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4 25  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6 12  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 40  1  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
[11C]MMTP

>  <PubChem CID>
46891047

>  <Formula>
C18H16N4O2S

>  <Molecular Weight>
351.412000

>  <IUPAC Name>
9-(dimethylamino)-3-(4-methoxyphenyl)pyrido[1,2]thieno[3,4-d]pyrimidin-4-one

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)OC)SC2=NC=C1

>  <Isomeric SMILES>
CN(C)C1=C2C3=C(C(=O)N(C=N3)C4=CC=C(C=C4)O[11CH3])SC2=NC=C1

>  <InChI Std. ID>
InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3/i3-1

>  <InChI Key>
COQPVKMATNFNLG-KTXUZGJCSA-N

