65130
  -OEChem-04232403542D

 52 53  0     0  0  0  0  0  0999 V2000
    6.8671    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    6.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 25  1  0  0  0  0
  3 47  1  0  0  0  0
  3 48  1  0  0  0  0
  4 26  1  0  0  0  0
  4 49  1  0  0  0  0
  4 50  1  0  0  0  0
  5 25  2  0  0  0  0
  5 51  1  0  0  0  0
  6 26  2  0  0  0  0
  6 52  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 15 39  1  0  0  0  0
 16 22  1  0  0  0  0
 16 40  1  0  0  0  0
 17 23  2  0  0  0  0
 17 41  1  0  0  0  0
 18 24  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65130

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
388

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAShmAIxBoBABACgAiJiIACCCACgIAAIiAAmDJgMJqKEsRuCOCDkwBEIqAeQ0AAOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[6-(4-carbamimidoylphenoxy)hexoxy]benzamidine

> <PUBCHEM_IUPAC_CAS_NAME>
4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide

> <PUBCHEM_IUPAC_NAME>
4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[6-(4-amidinophenoxy)hexoxy]benzamidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
OQLKNTOKMBVBKV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
354.20557608

> <PUBCHEM_MOLECULAR_FORMULA>
C20H26N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
354.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
354.20557608

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
13  15  8
13  17  8
14  16  8
14  18  8
15  21  8
16  22  8
17  23  8
18  24  8
19  21  8
19  23  8
20  22  8
20  24  8

$$$$