3-ethyl-8,9-dihydro-7H-imidazo[2,1-f]purin-6-ium thiocyanate

Systemtic Name: 3-ethyl-8,9-dihydro-7H-imidazo[2,1-f]purin-6-ium thiocyanate Openeye Name: 3-ethyl-8,9-dihydro-7H-imidazo[2,1-f]purin-6-ium thiocyanate CAS Name: 3-ethyl-8,9-dihydro-7H-imidazo[2,1-f]purin-6-ium thiocyanate IUPAC Name: 3-ethyl-8,9-dihydro-7H-imidazo[2,1-f]purin-6-ium thiocyanate Traditional Name: 3-ethyl-8,9-dihydro-7H-imidazo[2,1-f]purin-6-ium thiocyanate Formula: C10H12N6S MolecularWeight: 248.30748

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C[N+]3=C2NCC3.C(#N)[S-]

Isomeric SMILES

CCN1C=NC2=C1N=C[N+]3=C2NCC3.C(#N)[S-]

InChI

InChI=1S/C9H11N5.CHNS/c1-2-13-5-11-7-8-10-3-4-14(8)6-12-9(7)13;2-1-3/h5-6H,2-4H2,1H3;3H