(2R)-2-[6-azanyl-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoate

Systemtic Name: (2R)-2-[6-azanyl-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoate Openeye Name: (2R)-2-[6-amino-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoate CAS Name: (2R)-2-[[6-amino-9-[2-(2-methylphenoxy)ethyl]-8-purinyl]thio]propanoate IUPAC Name: (2R)-2-[6-amino-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]sulfanylpropanoate Traditional Name: (2R)-2-[[6-amino-9-[2-(2-methylphenoxy)ethyl]purin-8-yl]thio]propionate Formula: C17H18N5O3S- MolecularWeight: 372.42152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2SC(C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCN2C3=C(C(=NC=N3)N)N=C2S[C@H](C)C(=O)[O-]

InChI

InChI=1S/C17H19N5O3S/c1-10-5-3-4-6-12(10)25-8-7-22-15-13(14(18)19-9-20-15)21-17(22)26-11(2)16(23)24/h3-6,9,11H,7-8H2,1-2H3,(H,23,24)(H2,18,19,20)/p-1/t11-/m1/s1