2-[6-[(1-cyano-2-methyl-propan-2-yl)oxycarbonylamino]purin-9-yl]ethanoic acid

Systemtic Name: 2-[6-[(1-cyano-2-methyl-propan-2-yl)oxycarbonylamino]purin-9-yl]ethanoic acid Openeye Name: 2-[6-[(2-cyano-1,1-dimethyl-ethoxy)carbonylamino]purin-9-yl]acetic acid CAS Name: 2-[6-[[(1-cyano-2-methylpropan-2-yl)oxy-oxomethyl]amino]-9-purinyl]acetic acid IUPAC Name: 2-[6-[(1-cyano-2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]acetic acid Traditional Name: 2-[6-[(2-cyano-1,1-dimethyl-ethoxy)carbonylamino]purin-9-yl]acetic acid Formula: C13H14N6O4 MolecularWeight: 318.28806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC#N)OC(=O)NC1=NC=NC2=C1N=CN2CC(=O)O

Isomeric SMILES

CC(C)(CC#N)OC(=O)NC1=NC=NC2=C1N=CN2CC(=O)O

InChI

InChI=1S/C13H14N6O4/c1-13(2,3-4-14)23-12(22)18-10-9-11(16-6-15-10)19(7-17-9)5-8(20)21/h6-7H,3,5H2,1-2H3,(H,20,21)(H,15,16,18,22)