2-[6-azanyl-9-(2-phenoxyethyl)purin-8-yl]sulfanylpropanoic acid

Systemtic Name: 2-[6-azanyl-9-(2-phenoxyethyl)purin-8-yl]sulfanylpropanoic acid Openeye Name: 2-[6-amino-9-(2-phenoxyethyl)purin-8-yl]sulfanylpropanoic acid CAS Name: 2-[[6-amino-9-(2-phenoxyethyl)-8-purinyl]thio]propanoic acid IUPAC Name: 2-[6-amino-9-(2-phenoxyethyl)purin-8-yl]sulfanylpropanoic acid Traditional Name: 2-[[6-amino-9-(2-phenoxyethyl)purin-8-yl]thio]propionic acid Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=C(N1CCOC3=CC=CC=C3)N=CN=C2N

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(N1CCOC3=CC=CC=C3)N=CN=C2N

InChI

InChI=1S/C16H17N5O3S/c1-10(15(22)23)25-16-20-12-13(17)18-9-19-14(12)21(16)7-8-24-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,22,23)(H2,17,18,19)