ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate; methanesulfonic acid

Systemtic Name: ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate; methanesulfonic acid Openeye Name: ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridyl]carbamate; methanesulfonic acid CAS Name: N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamic acid ethyl ester; methanesulfonic acid IUPAC Name: ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate; methanesulfonic acid Traditional Name: N-[2-amino-6-[(4-fluorobenzyl)amino]-3-pyridyl]carbamic acid ethyl ester; mesylic acid Formula: C16H21FN4O5S MolecularWeight: 400.425143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.CS(=O)(=O)O

Isomeric SMILES

CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.CS(=O)(=O)O

InChI

InChI=1S/C15H17FN4O2.CH4O3S/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;1-5(2,3)4/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1H3,(H,2,3,4)