2288306
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5
255
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4.5981
2.866
4.5981
6.3301
2.866
4.5981
5.4641
3.732
4.5981
3.732
2.866
2.866
5.4641
3.732
2
6.3301
4.5981
3.732
2.866
2
4.5981
2
2.3291
4.269
1.4631
3.9781
4.5981
5.2181
6.6401
6.8671
6.0201
1.4631
5.2181
4.5981
3.9781
2.31
1.4631
1.69
2.25
-2.75
0.25
-2.75
3.25
-2.75
-1.25
-1.25
-0.75
-2.25
-0.75
0.25
-2.25
0.75
0.75
-0.75
-3.75
1.75
2.25
1.75
3.25
3.75
-1.06
0.44
0.44
-3.75
-4.37
-3.75
-1.2869
-0.44
-0.2131
2.06
3.25
3.87
3.25
4.2869
4.06
3.2131
8
8
8
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8
12
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
490
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07338000000000000000000000000000000000000003C4000000000000000010000001E00000000000C048198063306830004008802215210008208002020000888010E88C88D262A8C711A8430222CC7330AA98780C0100E20000100000040004000020000008000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
5-[(3,4-dimethoxyphenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
5-[(3,4-dimethoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
5-[(3,4-dimethoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
5-[(3,4-dimethoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
1,3-dimethyl-5-veratrylidene-barbituric acid
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C15H16N2O5/c1-16-13(18)10(14(19)17(2)15(16)20)7-9-5-6-11(21-3)12(8-9)22-4/h5-8H,1-4H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
HMXNFDCYRPFAFF-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
1.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
304.105922
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C15H16N2O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
304.29794
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CN1C(=O)C(=CC2=CC(=C(C=C2)OC)OC)C(=O)N(C1=O)C
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CN1C(=O)C(=CC2=CC(=C(C=C2)OC)OC)C(=O)N(C1=O)C
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
76.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
304.105922
22
0
0
0
0
0
0
0
1
1