4091
  -OEChem-04192419172D

 20 19  0     0  0  0  0  0  0999 V2000
    6.0010    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571   -0.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    0.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  8  2  0  0  0  0
  3 16  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4091

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
132

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAFAAQAAAAAAAAAAQDAANAAAAgAAAAJAAAAAGAAAABAAAIAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(diaminomethylene)-1,1-dimethyl-guanidine

> <PUBCHEM_IUPAC_CAS_NAME>
3-(diaminomethylidene)-1,1-dimethylguanidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(diaminomethylidene)-1,1-dimethylguanidine

> <PUBCHEM_IUPAC_NAME>
3-(diaminomethylidene)-1,1-dimethylguanidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(diaminomethylene)-1,1-dimethyl-guanidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)

> <PUBCHEM_IUPAC_INCHIKEY>
XZWYZXLIPXDOLR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1.3

> <PUBCHEM_EXACT_MASS>
129.10144537

> <PUBCHEM_MOLECULAR_FORMULA>
C4H11N5

> <PUBCHEM_MOLECULAR_WEIGHT>
129.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C(=N)N=C(N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C(=N)N=C(N)N

> <PUBCHEM_CACTVS_TPSA>
91.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
129.10144537

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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

$$$$