tert-butyl N-[12-[(N'-cyanocarbamimidoyl)-pyridin-4-yl-amino]dodecyl]carbamate

Systemtic Name: tert-butyl N-[12-[(N'-cyanocarbamimidoyl)-pyridin-4-yl-amino]dodecyl]carbamate Openeye Name: tert-butyl N-[12-[(N'-cyanocarbamimidoyl)-(4-pyridyl)amino]dodecyl]carbamate CAS Name: N-[12-[[amino(cyanoimino)methyl]-pyridin-4-ylamino]dodecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[12-[(N'-cyanocarbamimidoyl)-pyridin-4-ylamino]dodecyl]carbamate Traditional Name: N-[12-[(N'-cyanoamidino)-(4-pyridyl)amino]dodecyl]carbamic acid tert-butyl ester Formula: C24H40N6O2 MolecularWeight: 444.6134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N6O2/c1-24(2,3)32-23(31)28-16-12-10-8-6-4-5-7-9-11-13-19-30(22(26)29-20-25)21-14-17-27-18-15-21/h14-15,17-18H,4-13,16,19H2,1-3H3,(H2,26,29)(H,28,31)