IUPAC name
diphenylmethanone O-[2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoyl]oxime
SMILES
COc1cc(nc(n1)Oc1cccc(c1C(=O)ON=C(c1ccccc1)c1ccccc1)Oc1nc(cc(n1)OC)OC)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pyribenzoxim
IUPAC name
diphenylmethanone O-[2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoyl]oxime
SMILES
COc1cc(nc(n1)Oc1cccc(c1C(=O)ON=C(c1ccccc1)c1ccccc1)Oc1nc(cc(n1)OC)OC)OC
INCHI
InChI=1S/C32H27N5O8/c1-39-24-18-25(40-2)34-31(33-24)43-22-16-11-17-23(44-32-35-26(41-3)19-27(36-32)42-4)28(22)30(38)45-37-29(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-19H,1-4H3
FORMULA
C32H27N5O8
Common name
pyribenzoxim
IUPAC name
diphenylmethanone O-[2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoyl]oxime
Molecular weight
609.585
clogP
4.838
clogS
-8.165
HBond Acceptor
13
HBond Donor
0
Total Polar Surface Area
145.6
Number of Rings
5
Rotatable Bond
13
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00790 | pyrimidine |
|
n1cnccc1 | 0.0161 |
| FDBF01254 | 4-methoxypyrimidine |
|
O(C)c1ccncn1 | 0.0086 |
| FDBF02921 | 5H-pyrimidin-2-one |
|
O=C1N=CCC=N1 | 0.0021 |
| FDBF05783 | 4-methoxy-5H-pyrimidin-2-one |
|
C1(=NC(=O)N=CC1)OC | 0.0017 |
| FDBF06479 | (methylideneamino) benzoate |
|
c1c(cccc1)C(=O)ON=C | 0.0003 |
6 ,
1
