2-azanyl-4-(7H-purin-6-ylsulfanyl)butanoic acid

Systemtic Name: 2-azanyl-4-(7H-purin-6-ylsulfanyl)butanoic acid Openeye Name: 2-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid CAS Name: 2-amino-4-(7H-purin-6-ylthio)butanoic acid IUPAC Name: 2-amino-4-(7H-purin-6-ylsulfanyl)butanoic acid Traditional Name: 2-amino-4-(7H-purin-6-ylthio)butyric acid Formula: C9H11N5O2S MolecularWeight: 253.28094

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SCCC(C(=O)O)N

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SCCC(C(=O)O)N

InChI

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