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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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