1,3-dimethyl-9-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-(phenylmethyl)purine-2,6-dione Openeye Name: 9-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-9-(phenylmethyl)purine-2,6-dione IUPAC Name: 9-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 9-benzyl-1,3-dimethyl-xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C14H14N4O2/c1-16-12-11(13(19)17(2)14(16)20)15-9-18(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3