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

Systemtic Name: 7-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[(1,3-dioxoisoindolin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[(1,3-dioxo-2-isoindolyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[(1,3-dioxoisoindol-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(phthalimidomethyl)xanthine Formula: C16H12ClN5O4 MolecularWeight: 373.75058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN5O4/c1-19-11-10(14(25)20(2)16(19)26)21(15(17)18-11)7-22-12(23)8-5-3-4-6-9(8)13(22)24/h3-6H,7H2,1-2H3