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7H-purin-6-ylmethyl carbamimidothioate bromide

7H-purin-6-ylmethyl carbamimidothioate bromide

Systemtic Name:7H-purin-6-ylmethyl carbamimidothioate bromide
Openeye Name:2-(7H-purin-6-ylmethyl)isothiourea bromide
CAS Name:carbamimidothioic acid 7H-purin-6-ylmethyl ester bromide
IUPAC Name:7H-purin-6-ylmethyl carbamimidothioate bromide
Traditional Name:2-(7H-purin-6-ylmethyl)isothiourea bromide
Formula: C7H8BrN6S-
MolecularWeight: 288.14762
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC=NC(=C2N1)CSC(=N)N.[Br-]


Isomeric SMILES

C1=NC2=NC=NC(=C2N1)CSC(=N)N.[Br-]


InChI

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


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