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

Systemtic Name: 7-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(1,3-dioxoisoindolin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(1,3-dioxo-2-isoindolyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(phthalimidomethyl)xanthine Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C16H13N5O4/c1-18-12-11(15(24)19(2)16(18)25)20(7-17-12)8-21-13(22)9-5-3-4-6-10(9)14(21)23/h3-7H,8H2,1-2H3