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

Systemtic Name: 2-[2-azanyl-9-(2-methylbutyl)purin-6-yl]sulfanylethanoic acid Openeye Name: 2-[2-amino-9-(2-methylbutyl)purin-6-yl]sulfanylacetic acid CAS Name: 2-[[2-amino-9-(2-methylbutyl)-6-purinyl]thio]acetic acid IUPAC Name: 2-[2-amino-9-(2-methylbutyl)purin-6-yl]sulfanylacetic acid Traditional Name: 2-[[2-amino-9-(2-methylbutyl)purin-6-yl]thio]acetic acid Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O2S/c1-3-7(2)4-17-6-14-9-10(17)15-12(13)16-11(9)20-5-8(18)19/h6-7H,3-5H2,1-2H3,(H,18,19)(H2,13,15,16)