3-[6-azanyl-9-(2-phenoxyethyl)purin-8-yl]sulfanylpropanoic acid

Systemtic Name: 3-[6-azanyl-9-(2-phenoxyethyl)purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-[6-amino-9-(2-phenoxyethyl)purin-8-yl]sulfanylpropanoic acid CAS Name: 3-[[6-amino-9-(2-phenoxyethyl)-8-purinyl]thio]propanoic acid IUPAC Name: 3-[6-amino-9-(2-phenoxyethyl)purin-8-yl]sulfanylpropanoic acid Traditional Name: 3-[[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:

C1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCC(=O)O

InChI

InChI=1S/C16H17N5O3S/c17-14-13-15(19-10-18-14)21(16(20-13)25-9-6-12(22)23)7-8-24-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,22,23)(H2,17,18,19)