1990024
  -OEChem-05062413412D

 32 34  0     0  0  0  0  0  0999 V2000
    4.1756    4.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    0.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4432   -3.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    2.2385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4727   -2.2308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6636   -3.6321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0416    2.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096    2.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0416    3.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3096    3.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1756    1.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846    0.6507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756   -0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6756   -0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0878   -1.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4945   -2.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -2.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -3.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2537    2.1559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6522    2.8462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990    2.8462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975    2.1559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6522    3.6308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2537    4.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975    4.3211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6990    3.6308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5742    0.8423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0400   -0.8019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -1.0445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334   -1.8159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5348   -4.2385    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 17  1  0  0  0  0
  6 19  1  0  0  0  0
  6 31  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1990024

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
417

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAAABgAAAHgAQAAAACAzhkAYxhIPABECIAKVSUACCCAAtIgAIiAGObMiOZjLEtbufGSjsxzPY6ca8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H13N3O4/c16-11-9(13-12(17)14-11)7-8-1-2-10(19-8)15-3-5-18-6-4-15/h1-2,7H,3-6H2,(H2,13,14,16,17)/b9-7-

> <PUBCHEM_IUPAC_INCHIKEY>
HGERUGFZJKAXOY-CLFYSBASSA-N

> <PUBCHEM_XLOGP3_AA>
0.3

> <PUBCHEM_EXACT_MASS>
263.09060590

> <PUBCHEM_MOLECULAR_FORMULA>
C12H13N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
263.25

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

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

> <PUBCHEM_CACTVS_TPSA>
83.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
263.09060590

> <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>
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

$$$$