1,3,7-trimethyl-8-phenyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-phenyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-phenyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-phenylpurine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-phenylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-phenyl-xanthine Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H14N4O2/c1-16-10-12(17(2)14(20)18(3)13(10)19)15-11(16)9-7-5-4-6-8-9/h4-8H,1-3H3