8-(2-methoxyethoxy)-1,3-dimethyl-7-phenethyl-purine-2,6-dione

Systemtic Name: 8-(2-methoxyethoxy)-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(2-methoxyethoxy)-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(2-methoxyethoxy)-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(2-methoxyethoxy)-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(2-methoxyethoxy)-1,3-dimethyl-7-phenethyl-xanthine Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-20-15-14(16(23)21(2)18(20)24)22(17(19-15)26-12-11-25-3)10-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3