4783081
  -OEChem-05032422192D

 37 39  0     0  0  0  0  0  0999 V2000
    7.7511    2.4341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9595    2.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753    1.1886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7195   -0.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    2.1592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    3.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    3.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5820    4.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5602    3.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6647    2.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1307    3.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4859    3.2227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.0393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.3491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3298    4.6097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.7333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0209    4.2502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2016    2.5308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.2333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.8533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 19  1  0  0  0  0
  2 10  2  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5 15  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  1  0  0  0  0
  8 30  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 14 16  2  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  1  0  0  0  0
 20 33  1  0  0  0  0
 21 23  2  0  0  0  0
 21 34  1  0  0  0  0
 22 24  2  0  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
4783081

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
544

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAABwAAAHgAQAAAACAzhkAYxxIPABECIAK1S0ACCCAAlIgAIiAGObMiOZjLEtbuXOSjs1zPY6YeYEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[3-(2-furylmethyl)-2,4,5-trioxo-imidazolidin-1-yl]-N-phenyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[3-(2-furanylmethyl)-2,4,5-trioxo-1-imidazolidinyl]-N-phenylacetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-<I>N</I>-phenylacetamide

> <PUBCHEM_IUPAC_NAME>
2-[3-(furan-2-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[3-(furan-2-ylmethyl)-2,4,5-tris(oxidanylidene)imidazolidin-1-yl]-N-phenyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[3-(2-furfuryl)-2,4,5-triketo-imidazolidin-1-yl]-N-phenyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13N3O5/c20-13(17-11-5-2-1-3-6-11)10-19-15(22)14(21)18(16(19)23)9-12-7-4-8-24-12/h1-8H,9-10H2,(H,17,20)

> <PUBCHEM_IUPAC_INCHIKEY>
AFZJVKMFFGENRK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
327.08552052

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
327.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=O)N(C2=O)CC3=CC=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=O)N(C2=O)CC3=CC=CO3

> <PUBCHEM_CACTVS_TPSA>
99.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
327.08552052

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  14  8
1  19  8
14  16  8
16  18  8
17  20  8
17  21  8
18  19  8
20  22  8
21  23  8
22  24  8
23  24  8

$$$$