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

Systemtic Name: 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]ethanoic acid Openeye Name: 2-[6-(tert-butoxycarbonylamino)purin-9-yl]acetic acid CAS Name: 2-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-9-purinyl]acetic acid IUPAC Name: 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]acetic acid Traditional Name: 2-[6-(tert-butoxycarbonylamino)purin-9-yl]acetic acid Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O4/c1-12(2,3)21-11(20)16-9-8-10(14-5-13-9)17(6-15-8)4-7(18)19/h5-6H,4H2,1-3H3,(H,18,19)(H,13,14,16,20)