3-methyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-7-phenethylpurine-2,6-dione Traditional Name: 3-methyl-7-phenethyl-xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCC3=CC=CC=C3

InChI

InChI=1S/C14H14N4O2/c1-17-12-11(13(19)16-14(17)20)18(9-15-12)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,19,20)