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88420-66-0 | Benzamide, N-(9-ethyl-8,9-dihydro-7-methyl-8-oxo-7H-purin-6-yl)-
CAS No: 88420-66-0 Catalog No: AG004HUA MDL No:
Product Description
Catalog Number:
AG004HUA
Chemical Name:
Benzamide, N-(9-ethyl-8,9-dihydro-7-methyl-8-oxo-7H-purin-6-yl)-
CAS Number:
88420-66-0
Molecular Formula:
C15H15N5O2
Molecular Weight:
297.3119
IUPAC Name:
N-(9-ethyl-7-methyl-8-oxopurin-6-yl)benzamide
InChI:
InChI=1S/C15H15N5O2/c1-3-20-13-11(19(2)15(20)22)12(16-9-17-13)18-14(21)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,17,18,21)
InChI Key:
UTYFJQYVZXTJFH-UHFFFAOYSA-N
SMILES:
CCn1c2ncnc(c2n(c1=O)C)NC(=O)c1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.318g/mol
Monoisotopic Mass:
297.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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