1725587
  -OEChem-04252400062D

 39 41  0     0  0  0  0  0  0999 V2000
    3.7976    4.7319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9886    1.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8379   -1.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778   -4.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7976    2.7319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993   -2.7319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166   -2.3955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6637    3.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9316    3.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6637    4.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9316    4.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7976    1.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6067    1.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2976    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2976    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1166   -1.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7099   -0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0948   -1.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857   -3.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653   -3.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653   -4.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313   -4.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8757    2.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2743    3.3396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210    3.3396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196    2.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2743    4.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8757    4.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196    4.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210    4.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963    1.3357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6621   -0.3085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933   -0.5511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6759   -3.3396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2774   -2.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5284   -4.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9313   -5.3519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683   -4.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 18  2  0  0  0  0
  4 19  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 16  1  0  0  0  0
  7 19  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1725587

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
499

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAAABgAAAHgAQAAAACAzhkAYxhIPABECIAKVSUACCCAAtIgAIiAGObMiOZjLEtbufGSjsxzPY6ca8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5E)-3-allyl-5-[(5-morpholino-2-furyl)methylene]imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(5E)-5-[[5-(4-morpholinyl)-2-furanyl]methylidene]-3-prop-2-enylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>E</I>)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-enyl-imidazolidine-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5E)-3-allyl-5-[(5-morpholino-2-furyl)methylene]hydantoin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17N3O4/c1-2-5-18-14(19)12(16-15(18)20)10-11-3-4-13(22-11)17-6-8-21-9-7-17/h2-4,10H,1,5-9H2,(H,16,20)/b12-10+

> <PUBCHEM_IUPAC_INCHIKEY>
XDRDNDMOTYPHNN-ZRDIBKRKSA-N

> <PUBCHEM_XLOGP3_AA>
1.1

> <PUBCHEM_EXACT_MASS>
303.12190603

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
303.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCN1C(=O)C(=CC2=CC=C(O2)N3CCOCC3)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCN1C(=O)/C(=C\C2=CC=C(O2)N3CCOCC3)/NC1=O

> <PUBCHEM_CACTVS_TPSA>
75

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.12190603

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
13  15  8
14  15  8
2  12  8
2  14  8

$$$$