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

Systemtic Name: 1,3,7-trimethyl-8-(4-phenylphenoxy)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(4-phenylphenoxy)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(4-phenylphenoxy)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(4-phenylphenoxy)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(4-phenylphenoxy)xanthine Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OC3=CC=C(C=C3)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H18N4O3/c1-22-16-17(23(2)20(26)24(3)18(16)25)21-19(22)27-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3