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Home > Imidazoles > 85592-12-7
85592-12-7 | 1,7-DIMETHYL-8-PHENYL-1H-IMIDAZO[2,1-F]PURINE-2,4(3H,8H)-DIONE
CAS No: 85592-12-7 Catalog No: AG004QHP MDL No:
Product Description
Catalog Number:
AG004QHP
Chemical Name:
1,7-DIMETHYL-8-PHENYL-1H-IMIDAZO[2,1-F]PURINE-2,4(3H,8H)-DIONE
CAS Number:
85592-12-7
Molecular Formula:
C15H13N5O2
Molecular Weight:
295.2960
IUPAC Name:
4,7-dimethyl-6-phenylpurino[7,8-a]imidazole-1,3-dione
InChI:
InChI=1S/C15H13N5O2/c1-9-8-19-11-12(18(2)15(22)17-13(11)21)16-14(19)20(9)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,17,21,22)
InChI Key:
UZIMMJMXSWGJRN-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)n(c2c1n1cc(n(c1n2)c1ccccc1)C)C
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:
2.4
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