7-(2-methoxyethyl)-3-(2-methylpropyl)-8-phenyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-phenyl-purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)-8-phenyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-phenylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)-8-phenylpurine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)-8-phenyl-xanthine Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3)CCOC

InChI

InChI=1S/C18H22N4O3/c1-12(2)11-22-16-14(17(23)20-18(22)24)21(9-10-25-3)15(19-16)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,20,23,24)