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

Systemtic Name: 8-methyl-1-(2-oxidanidyl-1-oxidanylidene-4H-isoindol-2-ium-2-yl)-3-phenyl-7H-purine-2,6-dione Openeye Name: 8-methyl-1-(2-oxido-1-oxo-4H-isoindol-2-ium-2-yl)-3-phenyl-7H-purine-2,6-dione CAS Name: 8-methyl-1-(2-oxido-1-oxo-4H-isoindol-2-ium-2-yl)-3-phenyl-7H-purine-2,6-dione IUPAC Name: 8-methyl-1-(2-oxido-1-oxo-4H-isoindol-2-ium-2-yl)-3-phenyl-7H-purine-2,6-dione Traditional Name: 1-(1-keto-2-oxido-4H-isoindol-2-ium-2-yl)-8-methyl-3-phenyl-7H-purine-2,6-quinone Formula: C20H15N5O4 MolecularWeight: 389.3642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=CC=C3)[N+]4(C=C5CC=CC=C5C4=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1)C(=O)N(C(=O)N2C3=CC=CC=C3)[N+]4(C=C5CC=CC=C5C4=O)[O-]

InChI

InChI=1S/C20H15N5O4/c1-12-21-16-17(22-12)23(14-8-3-2-4-9-14)20(28)24(18(16)26)25(29)11-13-7-5-6-10-15(13)19(25)27/h2-6,8-11H,7H2,1H3,(H,21,22)