1,3-dimethyl-7-[2-oxidanylidene-2-(3-phenyl-1H-indol-2-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-(3-phenyl-1H-indol-2-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(3-phenyl-1H-indol-2-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-(3-phenyl-1H-indol-2-yl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-oxo-2-(3-phenyl-1H-indol-2-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(3-phenyl-1H-indol-2-yl)ethyl]-1,3-dimethyl-xanthine Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=C(C4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)C3=C(C4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C23H19N5O3/c1-26-21-20(22(30)27(2)23(26)31)28(13-24-21)12-17(29)19-18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)25-19/h3-11,13,25H,12H2,1-2H3