5H-purin-6-ylmethyl thiocyanate

Systemtic Name: 5H-purin-6-ylmethyl thiocyanate Openeye Name: 5H-purin-6-ylmethyl thiocyanate CAS Name: thiocyanic acid 5H-purin-6-ylmethyl ester IUPAC Name: 5H-purin-6-ylmethyl thiocyanate Traditional Name: thiocyanic acid 5H-purin-6-ylmethyl ester Formula: C7H5N5S MolecularWeight: 191.2131

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=NC=NC2=N1)CSC#N

Isomeric SMILES

C1=NC2C(=NC=NC2=N1)CSC#N

InChI

InChI=1S/C7H5N5S/c8-2-13-1-5-6-7(11-3-9-5)12-4-10-6/h3-4,6H,1H2