1-ethyl-7-(phenylmethyl)-3H-purine-2,6-dione

Systemtic Name: 1-ethyl-7-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 7-benzyl-1-ethyl-3H-purine-2,6-dione CAS Name: 1-ethyl-7-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 7-benzyl-1-ethyl-3H-purine-2,6-dione Traditional Name: 7-benzyl-1-ethyl-xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N=CN2CC3=CC=CC=C3

InChI

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