2-bromoethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate hydrochloride

Systemtic Name: 2-bromoethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate hydrochloride Openeye Name: 2-bromoethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridyl]carbamate hydrochloride CAS Name: N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamic acid 2-bromoethyl ester hydrochloride IUPAC Name: 2-bromoethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate hydrochloride Traditional Name: N-[2-amino-6-[(4-fluorobenzyl)amino]-3-pyridyl]carbamic acid 2-bromoethyl ester hydrochloride Formula: C15H17BrClFN4O2 MolecularWeight: 419.676483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=C(C=C2)NC(=O)OCCBr)N)F.Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=C(C=C2)NC(=O)OCCBr)N)F.Cl

InChI

InChI=1S/C15H16BrFN4O2.ClH/c16-7-8-23-15(22)20-12-5-6-13(21-14(12)18)19-9-10-1-3-11(17)4-2-10;/h1-6H,7-9H2,(H,20,22)(H3,18,19,21);1H