6-methylsulfanyl-7H-purin-2-amine hydrate

Systemtic Name: 6-methylsulfanyl-7H-purin-2-amine hydrate Openeye Name: 6-methylsulfanyl-7H-purin-2-amine hydrate CAS Name: 6-(methylthio)-7H-purin-2-amine hydrate IUPAC Name: 6-methylsulfanyl-7H-purin-2-amine hydrate Traditional Name: [6-(methylthio)-7H-purin-2-yl]amine hydrate Formula: C6H9N5OS MolecularWeight: 199.23356

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1NC=N2)N.O

Isomeric SMILES

CSC1=NC(=NC2=C1NC=N2)N.O

InChI

InChI=1S/C6H7N5S.H2O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5;/h2H,1H3,(H3,7,8,9,10,11);1H2