1,3-dimethyl-8-(2-oxidanylidene-1,2-diphenyl-ethyl)sulfanyl-purin-3-ium-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-oxidanylidene-1,2-diphenyl-ethyl)sulfanyl-purin-3-ium-2,6-dione Openeye Name: 1,3-dimethyl-8-(2-oxo-1,2-diphenyl-ethyl)sulfanyl-purin-3-ium-2,6-dione CAS Name: 1,3-dimethyl-8-[(2-oxo-1,2-diphenylethyl)thio]purin-3-ium-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-oxo-1,2-diphenylethyl)sulfanylpurin-3-ium-2,6-dione Traditional Name: 8-(desylthio)-1,3-dimethyl-purin-3-ium-2,6-quinone Formula: C21H17N4O3S+ MolecularWeight: 405.44968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)SC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N4O3S/c1-24-18-15(19(27)25(2)21(24)28)22-20(23-18)29-17(14-11-7-4-8-12-14)16(26)13-9-5-3-6-10-13/h3-12,17H,1-2H3/q+1