5H-purin-6-ylmethyl carbamimidothioate

Systemtic Name: 5H-purin-6-ylmethyl carbamimidothioate Openeye Name: 2-(5H-purin-6-ylmethyl)isothiourea CAS Name: carbamimidothioic acid 5H-purin-6-ylmethyl ester IUPAC Name: 5H-purin-6-ylmethyl carbamimidothioate Traditional Name: 2-(5H-purin-6-ylmethyl)isothiourea Formula: C7H8N6S MolecularWeight: 208.24362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8N6S/c8-7(9)14-1-4-5-6(12-2-10-4)13-3-11-5/h2-3,5H,1H2,(H3,8,9)