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76286-84-5 | 1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,8-dimethyl-7-phenyl-
CAS No: 76286-84-5 Catalog No: AG008O26 MDL No:
Product Description
Catalog Number:
AG008O26
Chemical Name:
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 1,8-dimethyl-7-phenyl-
CAS Number:
76286-84-5
Molecular Formula:
C15H13N5O2
Molecular Weight:
295.2960
IUPAC Name:
4,6-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
InChI:
InChI=1S/C15H13N5O2/c1-18-10(9-6-4-3-5-7-9)8-20-11-12(16-14(18)20)19(2)15(22)17-13(11)21/h3-8H,1-2H3,(H,17,21,22)
InChI Key:
YACVCCVBWTVJCR-UHFFFAOYSA-N
SMILES:
Cn1c(cn2c1nc1c2c(=O)[nH]c(=O)n1C)c1ccccc1
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.302g/mol
Monoisotopic Mass:
295.107g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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