53301197
  -OEChem-04262422242D

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    5.5443   -2.8772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1279   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1279   -2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5238   -3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238   -1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3898   -2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3898   -1.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6402    0.7191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8046   -0.0608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4616   -0.1893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0447    1.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8803    1.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2830    2.4140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4474    1.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5189   -3.4665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -3.3824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.6094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5238   -0.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9267   -1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 28  1  0  0  0  0
  4  7  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
53301197

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
447

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAFgB/gAAHgAQAAAADAzBngQzttfMHECoA6ZyZASCiC0nMqAJmKG+fNiObvrE/fuXPaju0BPY6eeY2aOeAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(benzofuran-2-yl)-N-butyl-5,7-dimethyl-imidazo[1,2-a]pyrimidin-3-amine

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-benzofuranyl)-N-butyl-5,7-dimethyl-3-imidazo[1,2-a]pyrimidinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(1-benzofuran-2-yl)-<I>N</I>-butyl-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine

> <PUBCHEM_IUPAC_NAME>
2-(1-benzofuran-2-yl)-N-butyl-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(1-benzofuran-2-yl)-N-butyl-5,7-dimethyl-imidazo[1,2-a]pyrimidin-3-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[2-(benzofuran-2-yl)-5,7-dimethyl-imidazo[1,2-a]pyrimidin-3-yl]-butyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H22N4O/c1-4-5-10-21-19-18(17-12-15-8-6-7-9-16(15)25-17)23-20-22-13(2)11-14(3)24(19)20/h6-9,11-12,21H,4-5,10H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
TWQOILMZIGRJAV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.6

> <PUBCHEM_EXACT_MASS>
334.17936134

> <PUBCHEM_MOLECULAR_FORMULA>
C20H22N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
334.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCNC1=C(N=C2N1C(=CC(=N2)C)C)C3=CC4=CC=CC=C4O3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCNC1=C(N=C2N1C(=CC(=N2)C)C)C3=CC4=CC=CC=C4O3

> <PUBCHEM_CACTVS_TPSA>
55.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.17936134

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
1  12  8
1  19  8
10  14  8
12  15  8
14  16  8
15  17  8
17  19  8
17  21  8
19  23  8
2  10  8
2  6  8
2  9  8
21  24  8
23  25  8
24  25  8
4  7  8
4  9  8
5  16  8
5  9  8
6  7  8

$$$$