tert-butyl N-[[3-[[methyl-(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[[methyl-(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[[methyl-[4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]amino]methyl]phenyl]methyl]carbamate CAS Name: N-[[3-[[methyl-(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[[methyl-(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate Traditional Name: N-[3-[[[4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]-methyl-amino]methyl]benzyl]carbamic acid tert-butyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)CN(C)C2=NC(=O)C=C(N2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)CN(C)C2=NC(=O)C=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C23H27N5O3/c1-23(2,3)31-22(30)25-14-16-6-5-7-17(12-16)15-28(4)21-26-19(13-20(29)27-21)18-8-10-24-11-9-18/h5-13H,14-15H2,1-4H3,(H,25,30)(H,26,27,29)