What is the molecular formula of the compound?
The molecular formula of the compound is C16H15N5O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 309.32 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 6-benzyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
What is the InChIKey of the compound?
The InChIKey of the compound is CCLSOXNLCYHQPK-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC1=CN2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)NC3=O)C.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.3.
How many hydrogen bond donor atoms are present in the compound?
There is 1 hydrogen bond donor atom in the compound.
How many hydrogen bond acceptor atoms are present in the compound?
There are 3 hydrogen bond acceptor atoms in the compound.
How many rotatable bonds are present in the compound?
There are 2 rotatable bonds in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.