1559791
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6.2731
3.618
2.809
4.5411
4.5411
5.4071
3.675
4.5411
3.675
5.4071
4.5411
2.809
3.675
5.4071
2.809
3.675
5.4071
4.5411
2
2.309
3.309
2.2721
5.944
3.1381
5.944
3.1381
5.944
4.5411
1.4103
1.9446
3.6734
-0.7694
2.8184
-0.7694
2.2306
-0.7694
0.7306
0.7306
-1.7694
-0.2694
-0.2694
1.2306
1.2306
-2.2694
-2.2694
2.2306
-3.2694
-3.2694
-3.7694
2.8184
3.7694
3.7694
0.9206
1.0406
-1.9594
-1.9594
-3.5794
-3.5794
-4.3894
2.6268
4.271
4.271
8
8
8
8
8
8
8
8
8
8
8
2
2
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8
13
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21
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
497
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371C07330004000000000000000000000000001200000003C400000000000000001C000001E04100000000C0CA1900231C483C004408C02AD52D000820800252209088801066CC88C263ACCF59B863928ECC513C8E9A79800000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
(5E)-5-(2-furylmethylene)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
(5E)-5-(2-furanylmethylidene)-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
(5E)-5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
(5E)-5-(furan-2-ylmethylidene)-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
(5E)-5-(2-furfurylidene)-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C15H10N2O3S/c18-13-12(9-11-7-4-8-20-11)14(19)17(15(21)16-13)10-5-2-1-3-6-10/h1-9H,(H,16,18,21)/b12-9+
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
FRHKAWLBQUZJAR-FMIVXFBMSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
2.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
298.041213
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C15H10N2O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
298.3165
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CO3)C(=O)NC2=S
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CO3)/C(=O)NC2=S
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
94.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
298.041213
21
0
0
0
1
1
0
0
1
3