7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C16H18N4O3/c1-18-14-13(15(21)19(2)16(18)22)20(10-17-14)9-8-11-4-6-12(23-3)7-5-11/h4-7,10H,8-9H2,1-3H3