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

Systemtic Name: tert-butyl N-[[3-[[(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)amino]methyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[[[4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]amino]methyl]phenyl]methyl]carbamate CAS Name: N-[[3-[[(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-[[(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]amino]methyl]benzyl]carbamic acid tert-butyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)CNC2=NC(=O)C=C(N2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=CC(=C1)CNC2=NC(=O)C=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C22H25N5O3/c1-22(2,3)30-21(29)25-14-16-6-4-5-15(11-16)13-24-20-26-18(12-19(28)27-20)17-7-9-23-10-8-17/h4-12H,13-14H2,1-3H3,(H,25,29)(H2,24,26,27,28)