91779
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5
255
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3.6276
5.8204
3.4539
3.8012
6.7601
4.8808
7.7901
10.143
10.7445
6.3444
6.1625
7.4893
8.8161
9.1169
4.6124
2.6428
5.4784
4.6124
2
5.4784
6.3444
7.1473
8.4741
9.8009
10.1017
10.4437
11.1278
11.7293
2.8548
2.1059
4.0755
1.525
1.6015
2.475
5.4784
5.7639
6.8814
7.0908
11.0543
11.2354
11.7383
11.0201
11.837
12.3399
11.6216
-2.0229
-0.7568
-3.0076
-1.0381
-1.0989
-0.4148
-0.4095
3.5229
0.1114
-2.1965
0.1829
1.2962
2.4095
0.7038
-2.1965
-1.8492
-1.6965
-3.1965
-2.6153
-3.6965
-3.1965
0.3565
1.4699
2.5832
0.8774
1.8171
3.6965
0.2851
-1.2666
-1.5392
-3.5065
-2.2168
-3.0902
-3.0138
-4.3165
0.6578
-3.5065
1.7712
1.9248
3.086
3.8042
4.3071
-0.3255
0.3927
0.8956
8
8
8
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8
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8
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17
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26
26
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
722
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
10
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
2
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E073B8006000000000000000000000000000000000002C580000000000000001E000001E04104000000800C5D206BF9596C8140AA80030677470CAD839312AB009D83C3E6C988C2DE2E4F9D98424286B810EE8E8261000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-ethylsulfonyl-2-pyridyl)sulfonyl]urea
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-(4,6-dimethoxy-2-pyrimidinyl)-3-[(3-ethylsulfonyl-2-pyridinyl)sulfonyl]urea
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonylurea
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonyl-urea
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-esyl-2-pyridyl)sulfonyl]urea
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
MEFOUWRMVYJCQC-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
0.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
431.05694
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C14H17N5O7S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
431.44408
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
183
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
431.05694
28
0
0
0
0
0
0
0
1
5