7-(ethoxymethyl)-8-methyl-1-(2-oxidanidyl-1-oxidanylidene-4H-isoindol-2-ium-2-yl)-3-phenyl-purine-2,6-dione

Systemtic Name: 7-(ethoxymethyl)-8-methyl-1-(2-oxidanidyl-1-oxidanylidene-4H-isoindol-2-ium-2-yl)-3-phenyl-purine-2,6-dione Openeye Name: 7-(ethoxymethyl)-8-methyl-1-(2-oxido-1-oxo-4H-isoindol-2-ium-2-yl)-3-phenyl-purine-2,6-dione CAS Name: 7-(ethoxymethyl)-8-methyl-1-(2-oxido-1-oxo-4H-isoindol-2-ium-2-yl)-3-phenylpurine-2,6-dione IUPAC Name: 7-(ethoxymethyl)-8-methyl-1-(2-oxido-1-oxo-4H-isoindol-2-ium-2-yl)-3-phenylpurine-2,6-dione Traditional Name: 7-(ethoxymethyl)-1-(1-keto-2-oxido-4H-isoindol-2-ium-2-yl)-8-methyl-3-phenyl-xanthine Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)[N+]4(C=C5CC=CC=C5C4=O)[O-])C

Isomeric SMILES

CCOCN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)[N+]4(C=C5CC=CC=C5C4=O)[O-])C

InChI

InChI=1S/C23H21N5O5/c1-3-33-14-25-15(2)24-20-19(25)21(29)27(23(31)26(20)17-10-5-4-6-11-17)28(32)13-16-9-7-8-12-18(16)22(28)30/h4-8,10-13H,3,9,14H2,1-2H3