2-[(2-azanyl-9-propyl-7H-purin-9-ium-6-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(2-azanyl-9-propyl-7H-purin-9-ium-6-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(2-amino-9-propyl-7H-purin-9-ium-6-yl)sulfanyl]acetic acid CAS Name: 2-[(2-amino-9-propyl-7H-purin-9-ium-6-yl)thio]acetic acid IUPAC Name: 2-[(2-amino-9-propyl-7H-purin-9-ium-6-yl)sulfanyl]acetic acid Traditional Name: 2-[(2-amino-9-propyl-7H-purin-9-ium-6-yl)thio]acetic acid Formula: C10H14N5O2S+ MolecularWeight: 268.31546

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CNC2=C1N=C(N=C2SCC(=O)O)N

Isomeric SMILES

CCC[N+]1=CNC2=C1N=C(N=C2SCC(=O)O)N

InChI

InChI=1S/C10H13N5O2S/c1-2-3-15-5-12-7-8(15)13-10(11)14-9(7)18-4-6(16)17/h5H,2-4H2,1H3,(H3,11,13,14,16,17)/p+1