16358576
  -OEChem-04262423412D

 37 39  0     0  0  0  0  0  0999 V2000
    5.5202   -1.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    0.1819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9009    4.5781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4466    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -0.6271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.1659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    1.9045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -3.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411    1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222    2.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -3.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -3.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2100    3.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -4.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -4.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -5.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2100    3.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5190    4.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7100    5.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786   -0.2640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619    0.5286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1915    3.2640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    2.4714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6455    1.8397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -3.3559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -3.3559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -4.9759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -4.9759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5744    3.1255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -5.7859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1086    4.7697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7100    5.7859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4 18  1  0  0  0  0
  4 24  1  0  0  0  0
  5 14  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 29  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 12  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 30  1  0  0  0  0
 17 20  2  0  0  0  0
 17 31  1  0  0  0  0
 18 22  2  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  2  0  0  0  0
 23 36  1  0  0  0  0
 24 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16358576

> <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>
AAADccB7OAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAABwAAAHgAQAAAACAzhkAYxxIPABECIAK1S0ACCCAAlIgAIiIGObMiOZjLEtbuXOSjs1zPY6aeYEQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-furanylmethyl)-2-(2,4,5-trioxo-3-phenyl-1-imidazolidinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(furan-2-ylmethyl)-2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(furan-2-ylmethyl)-2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetamide

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
MZDGROVIRZOZBN-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)N2C(=O)C(=O)N(C2=O)CC(=O)NCC3=CC=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)CC(=O)NCC3=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>
13  16  8
13  17  8
16  19  8
17  20  8
18  22  8
19  21  8
20  21  8
22  23  8
23  24  8
4  18  8
4  24  8

$$$$