200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 147700-32-1
147700-32-1 | 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-[2-(2,3,4-trimethoxyphenyl)ethenyl]-, (E)- (9CI)
CAS No: 147700-32-1 Catalog No: AG001F4P MDL No:
Product Description
Catalog Number:
AG001F4P
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-[2-(2,3,4-trimethoxyphenyl)ethenyl]-, (E)- (9CI)
CAS Number:
147700-32-1
Molecular Formula:
C18H20N4O5
Molecular Weight:
372.3752
IUPAC Name:
1,3-dimethyl-8-[2-(2,3,4-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
InChI:
InChI=1S/C18H20N4O5/c1-21-16-13(17(23)22(2)18(21)24)19-12(20-16)9-7-10-6-8-11(25-3)15(27-5)14(10)26-4/h6-9H,1-5H3,(H,19,20)
InChI Key:
GAQQSHXBDRDGGZ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1OC)OC)/C=C/c1nc2c([nH]1)c(=O)n(c(=O)n2C)C
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.143g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.381g/mol
Monoisotopic Mass:
372.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.