2-[(2-azanyl-5H-purin-6-yl)sulfanyl]heptanoic acid

Systemtic Name: 2-[(2-azanyl-5H-purin-6-yl)sulfanyl]heptanoic acid Openeye Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]heptanoic acid CAS Name: 2-[(2-amino-5H-purin-6-yl)thio]heptanoic acid IUPAC Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]heptanoic acid Traditional Name: 2-[(2-amino-5H-purin-6-yl)thio]enanthic acid Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)O)SC1=NC(=NC2=NC=NC21)N

Isomeric SMILES

CCCCCC(C(=O)O)SC1=NC(=NC2=NC=NC21)N

InChI

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