2-[6-azanyl-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylethanoic acid

Systemtic Name: 2-[6-azanyl-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylethanoic acid Openeye Name: 2-[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylacetic acid CAS Name: 2-[[6-amino-9-[2-(4-methylphenoxy)ethyl]-8-purinyl]thio]acetic acid IUPAC Name: 2-[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylacetic acid Traditional Name: 2-[[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]thio]acetic acid Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCC(=O)O

InChI

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