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

Systemtic Name: 7-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(1,3-dioxoisoindolin-2-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(1,3-dioxo-2-isoindolyl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(1,3-dioxoisoindol-2-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-phthalimidopropyl)xanthine Formula: C18H17N5O4 MolecularWeight: 367.35868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H17N5O4/c1-20-14-13(17(26)21(2)18(20)27)22(10-19-14)8-5-9-23-15(24)11-6-3-4-7-12(11)16(23)25/h3-4,6-7,10H,5,8-9H2,1-2H3