tert-butyl N-[N'-[4-(2-azanylethyl)-2-fluoranyl-phenyl]carbamimidoyl]-N-ethyl-carbamate

Systemtic Name: tert-butyl N-[N'-[4-(2-azanylethyl)-2-fluoranyl-phenyl]carbamimidoyl]-N-ethyl-carbamate Openeye Name: tert-butyl N-[N'-[4-(2-aminoethyl)-2-fluoro-phenyl]carbamimidoyl]-N-ethyl-carbamate CAS Name: N-[amino-[4-(2-aminoethyl)-2-fluorophenyl]iminomethyl]-N-ethylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[4-(2-aminoethyl)-2-fluorophenyl]carbamimidoyl]-N-ethylcarbamate Traditional Name: N-[N'-[4-(2-aminoethyl)-2-fluoro-phenyl]amidino]-N-ethyl-carbamic acid tert-butyl ester Formula: C16H25FN4O2 MolecularWeight: 324.393703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=NC1=C(C=C(C=C1)CCN)F)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(C(=NC1=C(C=C(C=C1)CCN)F)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H25FN4O2/c1-5-21(15(22)23-16(2,3)4)14(19)20-13-7-6-11(8-9-18)10-12(13)17/h6-7,10H,5,8-9,18H2,1-4H3,(H2,19,20)