24980898
  -OEChem-04242414182D

 73 75  0     1  0  0  0  0  0999 V2000
    4.5981    2.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4370    0.0160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0981    1.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0497   -5.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0632   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
24980898

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
992

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uABAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHgQQQAAADQjB2AQzwYPAAAKIAiVSUHDCABAlAgAIiBmIZMiIYDLAlbGUIQhohyLIyccYiACOEAAAAAAAAAAgAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-isobutyl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-<I>N</I>-(2-methylpropyl)benzamide

> <PUBCHEM_IUPAC_NAME>
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-isobutyl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H35N5O5S/c1-5-7-17-30-24(28)23(25(33)29-27(30)35)31(18-19(3)4)26(34)20-13-15-22(16-14-20)38(36,37)32(6-2)21-11-9-8-10-12-21/h8-16,19H,5-7,17-18,28H2,1-4H3,(H,29,33,35)

> <PUBCHEM_IUPAC_INCHIKEY>
VDJWHWJQNCPQRO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
541.23589041

> <PUBCHEM_MOLECULAR_FORMULA>
C27H35N5O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
541.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3)N

> <PUBCHEM_CACTVS_TPSA>
142

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
541.23589041

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <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>
14  15  8
14  21  8
22  26  8
22  27  8
25  28  8
25  29  8
26  28  8
27  29  8
32  34  8
32  35  8
34  36  8
35  37  8
36  38  8
37  38  8
8  15  8
8  23  8
9  21  8
9  23  8

$$$$