700182
  -OEChem-06181303192D

 28 30  0     0  0  0  0  0  0999 V2000
    6.7619   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    1.7601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445    0.5781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542    0.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519    0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  8  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 16  2  0  0  0  0
 14 25  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
700182

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
243

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAAAAAACAzhlgY9lpcMHACgATRnZASCiC0xMqAJ2CA+fJiObuLEeVqXPCiuwBPYqCeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

> <PUBCHEM_IUPAC_NAME>
2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H11N3O/c1-2-5-12(6-3-1)17-10-11-9-16-8-4-7-14-13(16)15-11/h1-9H,10H2

> <PUBCHEM_IUPAC_INCHIKEY>
DYNJOBXXJMOYBG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
225.090212

> <PUBCHEM_MOLECULAR_FORMULA>
C13H11N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
225.24594

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)OCC2=CN3C=CC=NC3=N2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)OCC2=CN3C=CC=NC3=N2

> <PUBCHEM_CACTVS_TPSA>
39.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
225.090212

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
10  14  8
11  12  8
13  15  8
14  16  8
15  17  8
16  17  8
2  6  8
2  8  8
2  9  8
3  5  8
3  8  8
4  12  8
4  8  8
5  6  8
9  11  8

$$$$