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5H-purin-6-yl carbamimidothioate

5H-purin-6-yl carbamimidothioate

Systemtic Name:5H-purin-6-yl carbamimidothioate
Openeye Name:2-(5H-purin-6-yl)isothiourea
CAS Name:carbamimidothioic acid 5H-purin-6-yl ester
IUPAC Name:5H-purin-6-yl carbamimidothioate
Traditional Name:2-(5H-purin-6-yl)isothiourea
Formula: C6H6N6S
MolecularWeight: 194.21704
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(=N1)N=CN=C2SC(=N)N


Isomeric SMILES

C1=NC2C(=N1)N=CN=C2SC(=N)N


InChI

InChI=1S/C6H6N6S/c7-6(8)13-5-3-4(10-1-9-3)11-2-12-5/h1-3H,(H3,7,8)


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