
 CHEMBL72007

 44 46  0  0  0  0  0  0  0  0999 V2000
   -1.2207    2.0549   -1.7657 C   0  0  0  0  0
   -0.8008    2.3889   -0.3227 C   0  0  0  0  0
   -2.0183    2.9926    0.4051 C   0  0  0  0  0
   -0.3852    1.1033    0.4133 C   0  0  0  0  0
    0.3850    3.3507   -0.3560 C   0  0  0  0  0
    0.2738    4.5353    0.2600 N   0  0  0  0  0
    1.3127    5.3729    0.2135 C   0  0  0  0  0
    1.1850    6.5998    0.8527 C   0  0  0  0  0
    2.2141    7.5433    0.8589 C   0  0  0  0  0
    3.4069    7.2594    0.2125 C   0  0  0  0  0
    3.5598    6.0351   -0.4371 C   0  0  0  0  0
    2.5100    5.0721   -0.4475 C   0  0  0  0  0
    2.5295    3.8070   -1.0639 C   0  0  0  0  0
    1.4874    2.9525   -1.0140 N   0  0  0  0  0
    3.6712    3.3991   -1.7790 N   0  0  0  0  0
    3.9263    2.2342   -2.4519 C   0  0  0  0  0
    5.0123    2.1447   -3.0220 O   0  0  0  0  0
    2.9496    1.2830   -2.4182 N   0  0  0  0  0
    2.9341    0.0061   -3.0102 C   0  0  0  0  0
    3.9715   -0.5040   -3.7910 C   0  0  0  0  0
    3.8758   -1.7850   -4.3456 C   0  0  0  0  0
    2.7441   -2.5660   -4.1221 C   0  0  0  0  0
    1.7046   -2.0664   -3.3442 C   0  0  0  0  0
    1.8009   -0.7866   -2.7918 C   0  0  0  0  0
   -0.4089    1.5839   -2.3293 H   0  0  0  0  0
   -1.5117    2.9598   -2.3117 H   0  0  0  0  0
   -2.0723    1.3658   -1.7810 H   0  0  0  0  0
   -2.3605    3.9135   -0.0816 H   0  0  0  0  0
   -1.7839    3.2349    1.4485 H   0  0  0  0  0
   -2.8608    2.2911    0.4123 H   0  0  0  0  0
    0.4684    0.6144   -0.0684 H   0  0  0  0  0
   -1.2073    0.3786    0.4393 H   0  0  0  0  0
   -0.0938    1.3163    1.4488 H   0  0  0  0  0
    0.2520    6.8309    1.3632 H   0  0  0  0  0
    2.0769    8.4934    1.3692 H   0  0  0  0  0
    4.2161    7.9861    0.2126 H   0  0  0  0  0
    4.5080    5.8448   -0.9306 H   0  0  0  0  0
    4.4494    4.0342   -1.8508 H   0  0  0  0  0
    2.1304    1.5570   -1.8836 H   0  0  0  0  0
    4.8696    0.0719   -3.9908 H   0  0  0  0  0
    4.6907   -2.1695   -4.9532 H   0  0  0  0  0
    2.6738   -3.5603   -4.5542 H   0  0  0  0  0
    0.8187   -2.6702   -3.1644 H   0  0  0  0  0
    0.9770   -0.4203   -2.1875 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 14  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 23 24  2  0  0  0
 23 43  1  0  0  0
 24 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL72007

>  <PubChem CID>
10615661

>  <Formula>
C19H20N4O

>  <Molecular Weight>
320.396000

>  <IUPAC Name>
1-(2-tert-butylquinazolin-4-yl)-3-phenylurea

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(C)C1=NC2=CC=CC=C2C(=N1)NC(=O)NC3=CC=CC=C3

>  <Isomeric SMILES>
CC(C)(C)C1=NC2=CC=CC=C2C(=N1)NC(=O)NC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H20N4O/c1-19(2,3)17-21-15-12-8-7-11-14(15)16(22-17)23-18(24)20-13-9-5-4-6-10-13/h4-12H,1-3H3,(H2,20,21,22,23,24)

>  <InChI Key>
ABIZQMXTMRRNQH-UHFFFAOYSA-N

