7-ethyl-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione Openeye Name: 8-benzyl-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-benzyl-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-benzyl-7-ethyl-1,3-dimethyl-xanthine Formula: C16H18N4O2 MolecularWeight: 298.33972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-4-20-12(10-11-8-6-5-7-9-11)17-14-13(20)15(21)19(3)16(22)18(14)2/h5-9H,4,10H2,1-3H3