7-(2-oxidanylidenepropyl)-1-phenyl-2-sulfanylidene-3,9-dihydropurin-7-ium-6-one

Systemtic Name: 7-(2-oxidanylidenepropyl)-1-phenyl-2-sulfanylidene-3,9-dihydropurin-7-ium-6-one Openeye Name: 7-acetonyl-1-phenyl-2-thioxo-3,9-dihydropurin-7-ium-6-one CAS Name: 7-(2-oxopropyl)-1-phenyl-2-sulfanylidene-3,9-dihydropurin-7-ium-6-one IUPAC Name: 7-(2-oxopropyl)-1-phenyl-2-sulfanylidene-3,9-dihydropurin-7-ium-6-one Traditional Name: 7-acetonyl-1-phenyl-2-thioxo-3,9-dihydropurin-7-ium-6-one Formula: C14H13N4O2S+ MolecularWeight: 301.34362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O2S/c1-9(19)7-17-8-15-12-11(17)13(20)18(14(21)16-12)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,16,20,21)/p+1