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7H-purin-6-yl thiocyanate

7H-purin-6-yl thiocyanate

Systemtic Name:7H-purin-6-yl thiocyanate
Openeye Name:7H-purin-6-yl thiocyanate
CAS Name:thiocyanic acid 7H-purin-6-yl ester
IUPAC Name:7H-purin-6-yl thiocyanate
Traditional Name:thiocyanic acid 7H-purin-6-yl ester
Formula: C6H3N5S
MolecularWeight: 177.18652
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SC#N


Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SC#N


InChI

InChI=1S/C6H3N5S/c7-1-12-6-4-5(9-2-8-4)10-3-11-6/h2-3H,(H,8,9,10,11)


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