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7H-purin-6-ylmethyl thiocyanate

7H-purin-6-ylmethyl thiocyanate

Systemtic Name:7H-purin-6-ylmethyl thiocyanate
Openeye Name:7H-purin-6-ylmethyl thiocyanate
CAS Name:thiocyanic acid 7H-purin-6-ylmethyl ester
IUPAC Name:7H-purin-6-ylmethyl thiocyanate
Traditional Name:thiocyanic acid 7H-purin-6-ylmethyl ester
Formula: C7H5N5S
MolecularWeight: 191.2131
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC=NC(=C2N1)CSC#N


Isomeric SMILES

C1=NC2=NC=NC(=C2N1)CSC#N


InChI

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


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