tert-butyl N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]carbamate

Systemtic Name: tert-butyl N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]carbamate Openeye Name: tert-butyl N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]carbamate CAS Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidin-5-yl]carbamate Traditional Name: N-[4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidin-5-yl]carbamic acid tert-butyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1NC(=O)OC(C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1NC(=O)OC(C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-14-18(25-21(27)30-22(2,3)4)19(16-11-8-12-17(13-16)26(28)29)24-20(23-14)15-9-6-5-7-10-15/h5-13H,1-4H3,(H,25,27)