tert-butyl N-[5-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]pentyl]carbamate

Systemtic Name: tert-butyl N-[5-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]pentyl]carbamate Openeye Name: tert-butyl N-[5-[[(cyanoamino)-(4-pyridylamino)methylene]amino]pentyl]carbamate CAS Name: N-[5-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]pentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[[(cyanoamino)-(pyridin-4-ylamino)methylidene]amino]pentyl]carbamate Traditional Name: N-[5-[[(cyanoamino)-(4-pyridylamino)methylene]amino]pentyl]carbamic acid tert-butyl ester Formula: C17H26N6O2 MolecularWeight: 346.42734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCN=C(NC#N)NC1=CC=NC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCN=C(NC#N)NC1=CC=NC=C1

InChI

InChI=1S/C17H26N6O2/c1-17(2,3)25-16(24)21-10-6-4-5-9-20-15(22-13-18)23-14-7-11-19-12-8-14/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,21,24)(H2,19,20,22,23)