5415914
  -OEChem-05082420182D

 42 45  0     0  0  0  0  0  0999 V2000
    2.0000    4.2319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7598   -1.4532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2396   -1.4532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9997   -1.7319    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4997   -0.1931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    3.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997   -0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    0.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8087   -1.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907   -1.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9997   -2.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657   -3.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1337   -3.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657   -4.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1337   -4.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9997   -4.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    4.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    4.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    3.3396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.6493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    5.2069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    5.2069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6405    3.7451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    2.4603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7041    0.5511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353    0.3085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4027   -2.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967   -2.9219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4027   -4.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967   -4.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9997   -5.3519    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 37  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 17  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 36  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5415914

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
553

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAAABwAAAHgAQAAAACAzhkAYxxIPABECIAKVSUACCCAAtIgAIiAGObMiOZjLEtbufOSjsxzPY6ee8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5Z)-5-[(5-morpholino-2-furyl)methylene]-3-phenyl-hydantoin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17N3O4/c22-17-15(19-18(23)21(17)13-4-2-1-3-5-13)12-14-6-7-16(25-14)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,23)/b15-12-

> <PUBCHEM_IUPAC_INCHIKEY>
DMSXYYIILDMJHD-QINSGFPZSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
339.12190603

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
339.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C2=CC=C(O2)C=C3C(=O)N(C(=O)N3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)N3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
75

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
339.12190603

> <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>
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
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8

$$$$