1909759
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8
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7
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6
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6
6
6
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6
1
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9
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22
13
7
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13
26
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9
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2
2
1
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2
1
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1
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1
8
9
13
15
25
18
2
1
1
5
255
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2.809
6.2731
2.309
4.5411
4.5411
5.4071
4.5411
3.675
3.675
5.4071
3.675
5.4071
4.5411
4.5411
2.809
3.675
5.4071
2.809
4.5411
3.618
2
3.309
3.1381
5.944
2.2721
5.944
3.1381
5.944
3.9211
4.5411
5.1611
4.2077
1.4103
3.6734
-0.2694
-0.2694
4.2694
2.7306
-0.2694
1.2306
-1.2694
1.2306
0.2306
0.2306
-1.7694
-1.7694
1.7306
-3.2694
1.7306
-2.7694
-2.7694
2.7306
-4.2694
3.3184
3.3184
4.2694
-1.4594
-1.4594
1.4206
1.5406
-3.0794
-3.0794
-4.2694
-4.8894
-4.2694
3.1268
3.1268
4.771
8
8
8
8
8
8
8
8
8
8
8
3
3
7
7
11
12
14
14
18
18
20
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22
11
12
16
17
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17
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22
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
520
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B38000000000000000000000000000001200000003C400000000000000001C000001E00100000000C08A1980233C483C0044088022D52D000820800252200088801066CC88C263ACCF59B863928ECC533C8E9A71080000E08000000000000001000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5E)-5-(3-furylmethylene)-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5E)-5-(3-furanylmethylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5E)-5-(furan-3-ylmethylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5E)-5-(furan-3-ylmethylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
(5E)-5-(3-furfurylidene)-1-(p-tolyl)barbituric acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H12N2O4/c1-10-2-4-12(5-3-10)18-15(20)13(14(19)17-16(18)21)8-11-6-7-22-9-11/h2-9H,1H3,(H,17,19,21)/b13-8+
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
SBMGYJWFXRUVER-MDWZMJQESA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
296.079707
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H12N2O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
296.27748
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC=C(C=C1)N2C(=O)C(=CC3=COC=C3)C(=O)NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=COC=C3)/C(=O)NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
79.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
296.079707
22
0
0
0
1
1
0
0
1
3