8-methoxy-1,3-dimethyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-methoxy-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-methoxy-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-methoxy-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-methoxy-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-methoxy-1,3-dimethyl-7-phenethyl-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)OC)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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