1,3,7-trimethyl-8-(4-oxidanylphenoxy)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(4-oxidanylphenoxy)purine-2,6-dione Openeye Name: 8-(4-hydroxyphenoxy)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(4-hydroxyphenoxy)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(4-hydroxyphenoxy)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(4-hydroxyphenoxy)-1,3,7-trimethyl-xanthine Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H14N4O4/c1-16-10-11(17(2)14(21)18(3)12(10)20)15-13(16)22-9-6-4-8(19)5-7-9/h4-7,19H,1-3H3