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

Systemtic Name: 2-[(2-azanyl-7H-purin-6-yl)sulfanyl]pentanoic acid Openeye Name: 2-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoic acid CAS Name: 2-[(2-amino-7H-purin-6-yl)thio]pentanoic acid IUPAC Name: 2-[(2-amino-7H-purin-6-yl)sulfanyl]pentanoic acid Traditional Name: 2-[(2-amino-7H-purin-6-yl)thio]valeric acid Formula: C10H13N5O2S MolecularWeight: 267.30752

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)SC1=NC(=NC2=C1NC=N2)N

Isomeric SMILES

CCCC(C(=O)O)SC1=NC(=NC2=C1NC=N2)N

InChI

InChI=1S/C10H13N5O2S/c1-2-3-5(9(16)17)18-8-6-7(13-4-12-6)14-10(11)15-8/h4-5H,2-3H2,1H3,(H,16,17)(H3,11,12,13,14,15)