5-(7-methylpurin-6-yl)sulfanylpentanoic acid

Systemtic Name: 5-(7-methylpurin-6-yl)sulfanylpentanoic acid Openeye Name: 5-(7-methylpurin-6-yl)sulfanylpentanoic acid CAS Name: 5-[(7-methyl-6-purinyl)thio]pentanoic acid IUPAC Name: 5-(7-methylpurin-6-yl)sulfanylpentanoic acid Traditional Name: 5-[(7-methylpurin-6-yl)thio]valeric acid Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=NC=N2)SCCCCC(=O)O

Isomeric SMILES

CN1C=NC2=C1C(=NC=N2)SCCCCC(=O)O

InChI

InChI=1S/C11H14N4O2S/c1-15-7-14-10-9(15)11(13-6-12-10)18-5-3-2-4-8(16)17/h6-7H,2-5H2,1H3,(H,16,17)