3-[6-azanyl-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoic acid

Systemtic Name: 3-[6-azanyl-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoic acid Openeye Name: 3-[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoic acid CAS Name: 3-[[6-amino-9-[2-(4-methylphenoxy)ethyl]-8-purinyl]thio]propanoic acid IUPAC Name: 3-[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoic acid Traditional Name: 3-[[6-amino-9-[2-(4-methylphenoxy)ethyl]purin-8-yl]thio]propionic acid Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2C3=C(C(=NC=N3)N)N=C2SCCC(=O)O

InChI

InChI=1S/C17H19N5O3S/c1-11-2-4-12(5-3-11)25-8-7-22-16-14(15(18)19-10-20-16)21-17(22)26-9-6-13(23)24/h2-5,10H,6-9H2,1H3,(H,23,24)(H2,18,19,20)