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189888-18-4 | 2,4(1H,3H)-Pteridinedione, 7-ethoxy-1,3-dimethyl-6-phenyl-
CAS No: 189888-18-4 Catalog No: AG002E2X MDL No:
Product Description
Catalog Number:
AG002E2X
Chemical Name:
2,4(1H,3H)-Pteridinedione, 7-ethoxy-1,3-dimethyl-6-phenyl-
CAS Number:
189888-18-4
Molecular Formula:
C16H16N4O3
Molecular Weight:
312.3232
IUPAC Name:
7-ethoxy-1,3-dimethyl-6-phenylpteridine-2,4-dione
InChI:
InChI=1S/C16H16N4O3/c1-4-23-14-11(10-8-6-5-7-9-10)17-12-13(18-14)19(2)16(22)20(3)15(12)21/h5-9H,4H2,1-3H3
InChI Key:
KGVJPUOCHHCSHY-UHFFFAOYSA-N
SMILES:
CCOc1nc2c(nc1c1ccccc1)c(=O)n(c(=O)n2C)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.122g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.329g/mol
Monoisotopic Mass:
312.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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