7-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1,3-dimethyl-8-phenyl-purine-2,6-dione

Systemtic Name: 7-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1,3-dimethyl-8-phenyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-1,3-dimethyl-8-phenyl-purine-2,6-dione CAS Name: 7-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione IUPAC Name: 7-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-phenyl-7-(2-phthalimidoethyl)xanthine Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC=CC=C3)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC=CC=C3)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H19N5O4/c1-25-19-17(22(31)26(2)23(25)32)27(18(24-19)14-8-4-3-5-9-14)12-13-28-20(29)15-10-6-7-11-16(15)21(28)30/h3-11H,12-13H2,1-2H3