5-[(2-methyl-7H-purin-6-yl)sulfanyl]pentanoic acid

Systemtic Name: 5-[(2-methyl-7H-purin-6-yl)sulfanyl]pentanoic acid Openeye Name: 5-[(2-methyl-7H-purin-6-yl)sulfanyl]pentanoic acid CAS Name: 5-[(2-methyl-7H-purin-6-yl)thio]pentanoic acid IUPAC Name: 5-[(2-methyl-7H-purin-6-yl)sulfanyl]pentanoic acid Traditional Name: 5-[(2-methyl-7H-purin-6-yl)thio]valeric acid Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCCCCC(=O)O)NC=N2

Isomeric SMILES

CC1=NC2=C(C(=N1)SCCCCC(=O)O)NC=N2

InChI

InChI=1S/C11H14N4O2S/c1-7-14-10-9(12-6-13-10)11(15-7)18-5-3-2-4-8(16)17/h6H,2-5H2,1H3,(H,16,17)(H,12,13,14,15)