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2-(2-azanyl-9-butyl-purin-6-yl)sulfanylethanoic acid

2-(2-azanyl-9-butyl-purin-6-yl)sulfanylethanoic acid

Systemtic Name:2-(2-azanyl-9-butyl-purin-6-yl)sulfanylethanoic acid
Openeye Name:2-(2-amino-9-butyl-purin-6-yl)sulfanylacetic acid
CAS Name:2-[(2-amino-9-butyl-6-purinyl)thio]acetic acid
IUPAC Name:2-(2-amino-9-butylpurin-6-yl)sulfanylacetic acid
Traditional Name:2-[(2-amino-9-butyl-purin-6-yl)thio]acetic acid
Formula: C11H15N5O2S
MolecularWeight: 281.3341
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1N=C(N=C2SCC(=O)O)N


Isomeric SMILES

CCCCN1C=NC2=C1N=C(N=C2SCC(=O)O)N


InChI

InChI=1S/C11H15N5O2S/c1-2-3-4-16-6-13-8-9(16)14-11(12)15-10(8)19-5-7(17)18/h6H,2-5H2,1H3,(H,17,18)(H2,12,14,15)


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