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

Systemtic Name: 7-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-phthalimidoethyl)xanthine Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H15N5O4/c1-19-13-12(16(25)20(2)17(19)26)21(9-18-13)7-8-22-14(23)10-5-3-4-6-11(10)15(22)24/h3-6,9H,7-8H2,1-2H3