2-[6-(2-methylsulfanylethoxycarbonylamino)purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-(2-methylsulfanylethoxycarbonylamino)purin-9-yl]ethanoic acid Openeye Name: 2-[6-(2-methylsulfanylethoxycarbonylamino)purin-9-yl]acetic acid CAS Name: 2-[6-[[2-(methylthio)ethoxy-oxomethyl]amino]-9-purinyl]acetic acid IUPAC Name: 2-[6-(2-methylsulfanylethoxycarbonylamino)purin-9-yl]acetic acid Traditional Name: 2-[6-[2-(methylthio)ethoxycarbonylamino]purin-9-yl]acetic acid Formula: C11H13N5O4S MolecularWeight: 311.31702

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)NC1=NC=NC2=C1N=CN2CC(=O)O

Isomeric SMILES

CSCCOC(=O)NC1=NC=NC2=C1N=CN2CC(=O)O

InChI

InChI=1S/C11H13N5O4S/c1-21-3-2-20-11(19)15-9-8-10(13-5-12-9)16(6-14-8)4-7(17)18/h5-6H,2-4H2,1H3,(H,17,18)(H,12,13,15,19)