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77196-87-3 | 1H-Purine-2,6-dione, 1,1'-methylenebis[3,7-dihydro-3,7-dimethyl-
CAS No: 77196-87-3 Catalog No: AG00557J MDL No:
Product Description
Catalog Number:
AG00557J
Chemical Name:
1H-Purine-2,6-dione, 1,1'-methylenebis[3,7-dihydro-3,7-dimethyl-
CAS Number:
77196-87-3
Molecular Formula:
C15H16N8O4
Molecular Weight:
372.3387
IUPAC Name:
1-[(3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-3,7-dimethylpurine-2,6-dione
InChI:
InChI=1S/C15H16N8O4/c1-18-5-16-10-8(18)12(24)22(14(26)20(10)3)7-23-13(25)9-11(17-6-19(9)2)21(4)15(23)27/h5-6H,7H2,1-4H3
InChI Key:
JQLBZHMVLVGVBB-UHFFFAOYSA-N
SMILES:
O=c1n(Cn2c(=O)c3n(C)cnc3n(c2=O)C)c(=O)c2c(n1C)ncn2C
Properties
Complexity:
658
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.129g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.345g/mol
Monoisotopic Mass:
372.129g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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