1725588
  -OEChem-05132404372D

 39 41  0     0  0  0  0  0  0999 V2000
    4.1756    5.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    1.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -2.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    3.2480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636   -2.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -1.2213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0416    3.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096    3.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0416    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    2.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846    1.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945   -1.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -0.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -1.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557   -3.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989   -4.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9910   -5.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2537    3.1654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6522    3.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990    3.8557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975    3.1654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6522    4.6403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2537    5.3306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975    5.3306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990    4.6403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5742    1.8518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0400    0.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -0.0351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334   -0.8065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8809   -3.3685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1272   -4.1265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7885   -4.0783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -5.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4517   -5.6629    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>
1725588

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z)-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-BENRWUELSA-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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$