tert-butyl 2-[6-[(1-cyano-2-methyl-propan-2-yl)oxycarbonylamino]purin-9-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[(1-cyano-2-methyl-propan-2-yl)oxycarbonylamino]purin-9-yl]ethanoate Openeye Name: tert-butyl 2-[6-[(2-cyano-1,1-dimethyl-ethoxy)carbonylamino]purin-9-yl]acetate CAS Name: 2-[6-[[(1-cyano-2-methylpropan-2-yl)oxy-oxomethyl]amino]-9-purinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[(1-cyano-2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]acetate Traditional Name: 2-[6-[(2-cyano-1,1-dimethyl-ethoxy)carbonylamino]purin-9-yl]acetic acid tert-butyl ester Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=NC2=C1N=CN=C2NC(=O)OC(C)(C)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=NC2=C1N=CN=C2NC(=O)OC(C)(C)CC#N

InChI

InChI=1S/C17H22N6O4/c1-16(2,3)26-11(24)8-23-10-21-12-13(19-9-20-14(12)23)22-15(25)27-17(4,5)6-7-18/h9-10H,6,8H2,1-5H3,(H,19,20,22,25)