1-[2,3-bis(oxidanyl)-3-phenyl-propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[2,3-bis(oxidanyl)-3-phenyl-propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(2,3-dihydroxy-3-phenyl-propyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(2,3-dihydroxy-3-phenylpropyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(2,3-dihydroxy-3-phenylpropyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2,3-dihydroxy-3-phenyl-propyl)-3,7-dimethyl-xanthine Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(C(C3=CC=CC=C3)O)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(C(C3=CC=CC=C3)O)O

InChI

InChI=1S/C16H18N4O4/c1-18-9-17-14-12(18)15(23)20(16(24)19(14)2)8-11(21)13(22)10-6-4-3-5-7-10/h3-7,9,11,13,21-22H,8H2,1-2H3