7-ethyl-1-phenyl-2-sulfanylidene-3,9-dihydropurin-7-ium-6-one

Systemtic Name: 7-ethyl-1-phenyl-2-sulfanylidene-3,9-dihydropurin-7-ium-6-one Openeye Name: 7-ethyl-1-phenyl-2-thioxo-3,9-dihydropurin-7-ium-6-one CAS Name: 7-ethyl-1-phenyl-2-sulfanylidene-3,9-dihydropurin-7-ium-6-one IUPAC Name: 7-ethyl-1-phenyl-2-sulfanylidene-3,9-dihydropurin-7-ium-6-one Traditional Name: 7-ethyl-1-phenyl-2-thioxo-3,9-dihydropurin-7-ium-6-one Formula: C13H13N4OS+ MolecularWeight: 273.33352

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CNC2=C1C(=O)N(C(=S)N2)C3=CC=CC=C3

Isomeric SMILES

CC[N+]1=CNC2=C1C(=O)N(C(=S)N2)C3=CC=CC=C3

InChI

InChI=1S/C13H12N4OS/c1-2-16-8-14-11-10(16)12(18)17(13(19)15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,18,19)/p+1