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Specification
The molecular formula of the compound is C16H15N5O2.
The molecular weight of the compound is 309.32 g/mol.
The IUPAC name of the compound is 6-benzyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
The InChIKey of the compound is CCLSOXNLCYHQPK-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CC1=CN2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)NC3=O)C.
The XLogP3-AA value of the compound is 2.3.
There is 1 hydrogen bond donor atom in the compound.
There are 3 hydrogen bond acceptor atoms in the compound.
There are 2 rotatable bonds in the compound.
Yes, the compound is canonicalized.
![2-Isocyanato-4-[(4-isocyanatocyclohexyl)methyl]-1-methylcyclohexane](https://resource.alfa-chemistry.com/structure/91458-02-5.gif)
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![1H-Imidazo[2,1-f]purine-6-carboxaldehyde,2,3,4,8-tetrahydro-1,8-dimethyl-2,4-dioxo-7-phenyl-,6-hydrazone](https://resource.alfa-chemistry.com/structure/91456-82-5.gif)
