tert-butyl 2-[4-[(1-cyano-2-methyl-propan-2-yl)oxycarbonylamino]-2-oxidanylidene-pyrimidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[(1-cyano-2-methyl-propan-2-yl)oxycarbonylamino]-2-oxidanylidene-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-[(2-cyano-1,1-dimethyl-ethoxy)carbonylamino]-2-oxo-pyrimidin-1-yl]acetate CAS Name: 2-[4-[[(1-cyano-2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(1-cyano-2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetate Traditional Name: 2-[4-[(2-cyano-1,1-dimethyl-ethoxy)carbonylamino]-2-keto-pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=CC(=NC1=O)NC(=O)OC(C)(C)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=CC(=NC1=O)NC(=O)OC(C)(C)CC#N

InChI

InChI=1S/C16H22N4O5/c1-15(2,3)24-12(21)10-20-9-6-11(18-13(20)22)19-14(23)25-16(4,5)7-8-17/h6,9H,7,10H2,1-5H3,(H,18,19,22,23)