9-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]oxybutyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 9-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]oxybutyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 9-[4-(1,3-dioxoisoindolin-2-yl)oxybutyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 9-[4-[(1,3-dioxo-2-isoindolyl)oxy]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 9-[4-(1,3-dioxoisoindol-2-yl)oxybutyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-9-(4-phthalimidooxybutyl)xanthine Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CCCCON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CCCCON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H19N5O5/c1-21-15-14(18(27)22(2)19(21)28)20-11-23(15)9-5-6-10-29-24-16(25)12-7-3-4-8-13(12)17(24)26/h3-4,7-8,11H,5-6,9-10H2,1-2H3