4735
  -OEChem-04162408362D

 49 50  0     0  0  0  0  0  0999 V2000
    9.4651    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    5.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.6550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    5.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -5.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210   -0.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225   -0.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112   -0.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097   -0.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451   -2.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -1.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    1.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    0.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550   -1.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565   -2.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    4.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    6.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    5.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -6.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    6.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 24  1  0  0  0  0
  3 44  1  0  0  0  0
  3 45  1  0  0  0  0
  4 25  1  0  0  0  0
  4 46  1  0  0  0  0
  4 47  1  0  0  0  0
  5 24  2  0  0  0  0
  5 48  1  0  0  0  0
  6 25  2  0  0  0  0
  6 49  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 15  2  0  0  0  0
 13 17  1  0  0  0  0
 14 20  1  0  0  0  0
 14 36  1  0  0  0  0
 15 21  1  0  0  0  0
 15 37  1  0  0  0  0
 16 22  2  0  0  0  0
 16 38  1  0  0  0  0
 17 23  2  0  0  0  0
 17 39  1  0  0  0  0
 18 20  2  0  0  0  0
 18 22  1  0  0  0  0
 18 24  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 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4735

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
376

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAShmAIxBoBABACgAiJiIACCCACgIAAIiAAmDJgMJqKEsRuCOCDkwBEIqAeQ8AgOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine

> <PUBCHEM_IUPAC_CAS_NAME>
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide

> <PUBCHEM_IUPAC_NAME>
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[5-(4-amidinophenoxy)pentoxy]benzamidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
XDRYMKDFEDOLFX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
340.18992602

> <PUBCHEM_MOLECULAR_FORMULA>
C19H24N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
340.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N

> <PUBCHEM_CACTVS_TPSA>
118

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.18992602

> <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>
12  14  8
12  16  8
13  15  8
13  17  8
14  20  8
15  21  8
16  22  8
17  23  8
18  20  8
18  22  8
19  21  8
19  23  8

$$$$