4-[[2-(5-chloranyl-2-fluoranyl-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethyl]pyridine-3-carboxamide

Systemtic Name: 4-[[2-(5-chloranyl-2-fluoranyl-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethyl]pyridine-3-carboxamide Openeye Name: 4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-[2-[(N-cyano-N'-methyl-carbamimidoyl)amino]ethyl]pyridine-3-carboxamide CAS Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxy-4-pyrimidinyl]amino]-N-[2-[[(cyanoamino)-methyliminomethyl]amino]ethyl]-3-pyridinecarboxamide IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-[2-[(N-cyano-N'-methylcarbamimidoyl)amino]ethyl]pyridine-3-carboxamide Traditional Name: 4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-[2-[(N-cyano-N'-methyl-amidino)amino]ethyl]nicotinamide Formula: C22H21ClFN9O2 MolecularWeight: 497.912643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCNC(=O)C1=C(C=CN=C1)NC2=NC(=NC=C2OC)C3=C(C=CC(=C3)Cl)F)NC#N

Isomeric SMILES

CN=C(NCCNC(=O)C1=C(C=CN=C1)NC2=NC(=NC=C2OC)C3=C(C=CC(=C3)Cl)F)NC#N

InChI

InChI=1S/C22H21ClFN9O2/c1-26-22(31-12-25)29-8-7-28-21(34)15-10-27-6-5-17(15)32-20-18(35-2)11-30-19(33-20)14-9-13(23)3-4-16(14)24/h3-6,9-11H,7-8H2,1-2H3,(H,28,34)(H2,26,29,31)(H,27,30,32,33)