7H-purin-6-yl N'-azanylcarbamimidothioate

Systemtic Name: 7H-purin-6-yl N'-azanylcarbamimidothioate Openeye Name: 3-amino-2-(7H-purin-6-yl)isothiourea CAS Name: N'-aminocarbamimidothioic acid 7H-purin-6-yl ester IUPAC Name: 7H-purin-6-yl N'-aminocarbamimidothioate Traditional Name: 3-amino-2-(7H-purin-6-yl)isothiourea Formula: C6H7N7S MolecularWeight: 209.23168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)S/C(=N/N)/N

InChI

InChI=1S/C6H7N7S/c7-6(13-8)14-5-3-4(10-1-9-3)11-2-12-5/h1-2H,8H2,(H2,7,13)(H,9,10,11,12)