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

Systemtic Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione Openeye Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-phenethyl-purine-2,6-dione CAS Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-phenethylpurine-2,6-dione IUPAC Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-phenethylpurine-2,6-dione Traditional Name: 8-(2-methoxyethylamino)-1,3-dimethyl-7-phenethyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3/c1-21-15-14(16(24)22(2)18(21)25)23(17(20-15)19-10-12-26-3)11-9-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,20)