2-[2-azanyl-9-(2-methylpropyl)purin-6-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-azanyl-9-(2-methylpropyl)purin-6-yl]sulfanylethanoic acid Openeye Name: 2-(2-amino-9-isobutyl-purin-6-yl)sulfanylacetic acid CAS Name: 2-[[2-amino-9-(2-methylpropyl)-6-purinyl]thio]acetic acid IUPAC Name: 2-[2-amino-9-(2-methylpropyl)purin-6-yl]sulfanylacetic acid Traditional Name: 2-[(2-amino-9-isobutyl-purin-6-yl)thio]acetic acid Formula: C11H15N5O2S MolecularWeight: 281.3341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1N=C(N=C2SCC(=O)O)N

Isomeric SMILES

CC(C)CN1C=NC2=C1N=C(N=C2SCC(=O)O)N

InChI

InChI=1S/C11H15N5O2S/c1-6(2)3-16-5-13-8-9(16)14-11(12)15-10(8)19-4-7(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)(H2,12,14,15)