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

Systemtic Name: 2-[6-azanyl-9-(2-phenoxyethyl)purin-8-yl]sulfanylethanoic acid Openeye Name: 2-[6-amino-9-(2-phenoxyethyl)purin-8-yl]sulfanylacetic acid CAS Name: 2-[[6-amino-9-(2-phenoxyethyl)-8-purinyl]thio]acetic acid IUPAC Name: 2-[6-amino-9-(2-phenoxyethyl)purin-8-yl]sulfanylacetic acid Traditional Name: 2-[[6-amino-9-(2-phenoxyethyl)purin-8-yl]thio]acetic acid Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC(=O)O

InChI

InChI=1S/C15H15N5O3S/c16-13-12-14(18-9-17-13)20(15(19-12)24-8-11(21)22)6-7-23-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,21,22)(H2,16,17,18)