1,3-dimethyl-7-(3-oxidanylidene-1H-2-benzofuran-1-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-oxidanylidene-1H-2-benzofuran-1-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(3-oxo-1H-isobenzofuran-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-oxo-1H-isobenzofuran-1-yl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-oxo-1H-2-benzofuran-1-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-phthalidyl-xanthine Formula: C15H12N4O4 MolecularWeight: 312.28018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C15H12N4O4/c1-17-11-10(12(20)18(2)15(17)22)19(7-16-11)13-8-5-3-4-6-9(8)14(21)23-13/h3-7,13H,1-2H3