3,7-dimethyl-1-(2-methylperoxy-2-phenyl-ethyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(2-methylperoxy-2-phenyl-ethyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(2-methylperoxy-2-phenyl-ethyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(2-methyldioxy-2-phenylethyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(2-methylperoxy-2-phenylethyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(2-methylperoxy-2-phenyl-ethyl)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(C3=CC=CC=C3)OOC

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4/c1-18-10-17-14-13(18)15(21)20(16(22)19(14)2)9-12(24-23-3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3