tert-butyl 2-[5-[(4-chlorophenyl)carbonylamino]-6-oxidanylidene-2-phenyl-pyrimidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[(4-chlorophenyl)carbonylamino]-6-oxidanylidene-2-phenyl-pyrimidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-[(4-chlorobenzoyl)amino]-6-oxo-2-phenyl-pyrimidin-1-yl]acetate CAS Name: 2-[5-[[(4-chlorophenyl)-oxomethyl]amino]-6-oxo-2-phenyl-1-pyrimidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[(4-chlorobenzoyl)amino]-6-oxo-2-phenylpyrimidin-1-yl]acetate Traditional Name: 2-[5-[(4-chlorobenzoyl)amino]-6-keto-2-phenyl-pyrimidin-1-yl]acetic acid tert-butyl ester Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=NC=C(C1=O)NC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=NC=C(C1=O)NC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H22ClN3O4/c1-23(2,3)31-19(28)14-27-20(15-7-5-4-6-8-15)25-13-18(22(27)30)26-21(29)16-9-11-17(24)12-10-16/h4-13H,14H2,1-3H3,(H,26,29)