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

Systemtic Name: 7-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(1,3-dioxoisoindolin-2-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1,3-dioxo-2-isoindolyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(1,3-dioxoisoindol-2-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-keto-2-phthalimido-ethyl)-1,3-dimethyl-xanthine Formula: C17H13N5O5 MolecularWeight: 367.31562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H13N5O5/c1-19-13-12(16(26)20(2)17(19)27)21(8-18-13)7-11(23)22-14(24)9-5-3-4-6-10(9)15(22)25/h3-6,8H,7H2,1-2H3