13743
  -OEChem-06191311452D

 36 36  0     0  0  0  0  0  0999 V2000
    5.5000    1.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320   -0.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680   -0.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -3.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.5306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660   -2.4335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -2.4335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    3.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -0.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8660   -1.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -1.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    0.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -2.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0826    0.1445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923    0.5431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -0.4660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750    0.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -0.2796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -0.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250    1.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5250    0.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5826    1.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923    1.4091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030   -2.7435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5970   -2.7435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    0.7985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    3.9335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1200    3.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 19  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4 17  2  0  0  0  0
  5 19  2  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  0  0  0  0
  6 30  1  0  0  0  0
  7 14  1  0  0  0  0
  7 17  1  0  0  0  0
  7 31  1  0  0  0  0
  8 19  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 15  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 16  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
13743

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
387

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAADgChgAIDCALABAAIAAEQGAAAAAAAAAAAAAEAAAGAABoIwAAMAAAMBSIAAAG6yCAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-5-yl)ethyl carbamate

> <PUBCHEM_IUPAC_CAS_NAME>
carbamic acid 2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl ester

> <PUBCHEM_IUPAC_NAME>
2-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[5-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]ethyl carbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbamic acid 2-(5-butyl-2,4,6-triketo-hexahydropyrimidin-5-yl)ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H17N3O5/c1-2-3-4-11(5-6-19-9(12)17)7(15)13-10(18)14-8(11)16/h2-6H2,1H3,(H2,12,17)(H2,13,14,15,16,18)

> <PUBCHEM_IUPAC_INCHIKEY>
ZWGPHQZXAPWKOV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.5

> <PUBCHEM_EXACT_MASS>
271.116821

> <PUBCHEM_MOLECULAR_FORMULA>
C11H17N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
271.26978

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCC1(C(=O)NC(=O)NC1=O)CCOC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC1(C(=O)NC(=O)NC1=O)CCOC(=O)N

> <PUBCHEM_CACTVS_TPSA>
128

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
271.116821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
10

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$