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835608-55-4 | Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(3-methylbutyl)-
CAS No: 835608-55-4 Catalog No: AG004UOY MDL No:
Product Description
Catalog Number:
AG004UOY
Chemical Name:
Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8-dimethyl-10-(3-methylbutyl)-
CAS Number:
835608-55-4
Molecular Formula:
C17H20N4O2
Molecular Weight:
312.3663
IUPAC Name:
7,8-dimethyl-10-(3-methylbutyl)benzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C17H20N4O2/c1-9(2)5-6-21-13-8-11(4)10(3)7-12(13)18-14-15(21)19-17(23)20-16(14)22/h7-9H,5-6H2,1-4H3,(H,20,22,23)
InChI Key:
WKSCQPCSHBTOJG-UHFFFAOYSA-N
SMILES:
CC(CCn1c2cc(C)c(cc2nc2c1nc(=O)[nH]c2=O)C)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.373g/mol
Monoisotopic Mass:
312.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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