7H-purin-6-ylsulfanylmethyl 3-azanylpropanoate hydrochloride

Systemtic Name: 7H-purin-6-ylsulfanylmethyl 3-azanylpropanoate hydrochloride Openeye Name: 7H-purin-6-ylsulfanylmethyl 3-aminopropanoate hydrochloride CAS Name: 3-aminopropanoic acid (7H-purin-6-ylthio)methyl ester hydrochloride IUPAC Name: 7H-purin-6-ylsulfanylmethyl 3-aminopropanoate hydrochloride Traditional Name: 3-aminopropionic acid (7H-purin-6-ylthio)methyl ester hydrochloride Formula: C9H12ClN5O2S MolecularWeight: 289.74188

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCOC(=O)CCN.Cl

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCOC(=O)CCN.Cl

InChI

InChI=1S/C9H11N5O2S.ClH/c10-2-1-6(15)16-5-17-9-7-8(12-3-11-7)13-4-14-9;/h3-4H,1-2,5,10H2,(H,11,12,13,14);1H