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

Systemtic Name: tert-butyl N-[4-[(4-oxidanylidene-6-pyridin-4-yl-1H-pyrimidin-2-yl)-phenethyl-amino]butyl]carbamate Openeye Name: tert-butyl N-[4-[[4-oxo-6-(4-pyridyl)-1H-pyrimidin-2-yl]-phenethyl-amino]butyl]carbamate CAS Name: N-[4-[(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)-phenethylamino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(4-oxo-6-pyridin-4-yl-1H-pyrimidin-2-yl)-phenethylamino]butyl]carbamate Traditional Name: N-[4-[[4-keto-6-(4-pyridyl)-1H-pyrimidin-2-yl]-phenethyl-amino]butyl]carbamic acid tert-butyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCN(CCC1=CC=CC=C1)C2=NC(=O)C=C(N2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCN(CCC1=CC=CC=C1)C2=NC(=O)C=C(N2)C3=CC=NC=C3

InChI

InChI=1S/C26H33N5O3/c1-26(2,3)34-25(33)28-14-7-8-17-31(18-13-20-9-5-4-6-10-20)24-29-22(19-23(32)30-24)21-11-15-27-16-12-21/h4-6,9-12,15-16,19H,7-8,13-14,17-18H2,1-3H3,(H,28,33)(H,29,30,32)