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9-(2-hydroxyethyl)-3H-purine-6-thione dihydrate

9-(2-hydroxyethyl)-3H-purine-6-thione dihydrate

Systemtic Name:9-(2-hydroxyethyl)-3H-purine-6-thione dihydrate
Openeye Name:9-(2-hydroxyethyl)-3H-purine-6-thione dihydrate
CAS Name:9-(2-hydroxyethyl)-3H-purine-6-thione dihydrate
IUPAC Name:9-(2-hydroxyethyl)-3H-purine-6-thione dihydrate
Traditional Name:9-(2-hydroxyethyl)-3H-purine-6-thione dihydrate
Formula: C7H12N4O3S
MolecularWeight: 232.26018
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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)CCO.O.O


Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)CCO.O.O


InChI

InChI=1S/C7H8N4OS.2H2O/c12-2-1-11-4-10-5-6(11)8-3-9-7(5)13;;/h3-4,12H,1-2H2,(H,8,9,13);2*1H2


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