[2,6,8-tris(oxidanylidene)-7,9-dihydro-3H-purin-1-yl] thiocyanate

Systemtic Name: [2,6,8-tris(oxidanylidene)-7,9-dihydro-3H-purin-1-yl] thiocyanate Openeye Name: (2,6,8-trioxo-7,9-dihydro-3H-purin-1-yl) thiocyanate CAS Name: thiocyanic acid (2,6,8-trioxo-7,9-dihydro-3H-purin-1-yl) ester IUPAC Name: (2,6,8-trioxo-7,9-dihydro-3H-purin-1-yl) thiocyanate Traditional Name: thiocyanic acid (2,6,8-triketo-7,9-dihydro-3H-purin-1-yl) ester Formula: C6H3N5O3S MolecularWeight: 225.18472

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Descriptors Computed from Structure

Canonical SMILES:

C(#N)SN1C(=O)C2=C(NC(=O)N2)NC1=O

Isomeric SMILES

C(#N)SN1C(=O)C2=C(NC(=O)N2)NC1=O

InChI

InChI=1S/C6H3N5O3S/c7-1-15-11-4(12)2-3(10-6(11)14)9-5(13)8-2/h(H,10,14)(H2,8,9,13)