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13300-12-4 | 2,4(3H,8H)-Pteridinedione, 8-(2-hydroxyethyl)-6,7-diphenyl-
CAS No: 13300-12-4 Catalog No: AG0011HN MDL No:
Product Description
Catalog Number:
AG0011HN
Chemical Name:
2,4(3H,8H)-Pteridinedione, 8-(2-hydroxyethyl)-6,7-diphenyl-
CAS Number:
13300-12-4
Molecular Formula:
C20H16N4O3
Molecular Weight:
360.3660
IUPAC Name:
8-(2-hydroxyethyl)-6,7-diphenylpteridine-2,4-dione
InChI:
InChI=1S/C20H16N4O3/c25-12-11-24-17(14-9-5-2-6-10-14)15(13-7-3-1-4-8-13)21-16-18(24)22-20(27)23-19(16)26/h1-10,25H,11-12H2,(H,23,26,27)
InChI Key:
LCNJEBVVWUEGJY-UHFFFAOYSA-N
SMILES:
OCCn1c(c2ccccc2)c(nc2c1nc(=O)[nH]c2=O)c1ccccc1
NSC Number:
680989
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.122g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.373g/mol
Monoisotopic Mass:
360.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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