1,3,7-trimethyl-8-[oxidanyl(phenyl)methyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[oxidanyl(phenyl)methyl]purine-2,6-dione Openeye Name: 8-[hydroxy(phenyl)methyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[hydroxy(phenyl)methyl]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[hydroxy(phenyl)methyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[hydroxy(phenyl)methyl]-1,3,7-trimethyl-xanthine Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C(C3=CC=CC=C3)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H16N4O3/c1-17-10-12(18(2)15(22)19(3)14(10)21)16-13(17)11(20)9-7-5-4-6-8-9/h4-8,11,20H,1-3H3