tert-butyl N-[8-[(N'-cyanocarbamimidoyl)-pyridin-4-yl-amino]octyl]carbamate

Systemtic Name: tert-butyl N-[8-[(N'-cyanocarbamimidoyl)-pyridin-4-yl-amino]octyl]carbamate Openeye Name: tert-butyl N-[8-[(N'-cyanocarbamimidoyl)-(4-pyridyl)amino]octyl]carbamate CAS Name: N-[8-[[amino(cyanoimino)methyl]-pyridin-4-ylamino]octyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[8-[(N'-cyanocarbamimidoyl)-pyridin-4-ylamino]octyl]carbamate Traditional Name: N-[8-[(N'-cyanoamidino)-(4-pyridyl)amino]octyl]carbamic acid tert-butyl ester Formula: C20H32N6O2 MolecularWeight: 388.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCN(C1=CC=NC=C1)C(=NC#N)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCN(C1=CC=NC=C1)C(=NC#N)N

InChI

InChI=1S/C20H32N6O2/c1-20(2,3)28-19(27)24-12-8-6-4-5-7-9-15-26(18(22)25-16-21)17-10-13-23-14-11-17/h10-11,13-14H,4-9,12,15H2,1-3H3,(H2,22,25)(H,24,27)