2-(2-azanyl-9-propyl-purin-6-yl)sulfanylethanoic acid

Systemtic Name: 2-(2-azanyl-9-propyl-purin-6-yl)sulfanylethanoic acid Openeye Name: 2-(2-amino-9-propyl-purin-6-yl)sulfanylacetic acid CAS Name: 2-[(2-amino-9-propyl-6-purinyl)thio]acetic acid IUPAC Name: 2-(2-amino-9-propylpurin-6-yl)sulfanylacetic acid Traditional Name: 2-[(2-amino-9-propyl-purin-6-yl)thio]acetic acid Formula: C10H13N5O2S MolecularWeight: 267.30752

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1N=C(N=C2SCC(=O)O)N

Isomeric SMILES

CCCN1C=NC2=C1N=C(N=C2SCC(=O)O)N

InChI

InChI=1S/C10H13N5O2S/c1-2-3-15-5-12-7-8(15)13-10(11)14-9(7)18-4-6(16)17/h5H,2-4H2,1H3,(H,16,17)(H2,11,13,14)