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

Systemtic Name: 4-[[2-(5-chloranyl-2-fluoranyl-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]propyl]pyridine-3-carboxamide Openeye Name: 4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-[3-[(N-cyano-N'-methyl-carbamimidoyl)amino]propyl]pyridine-3-carboxamide CAS Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxy-4-pyrimidinyl]amino]-N-[3-[[(cyanoamino)-methyliminomethyl]amino]propyl]-3-pyridinecarboxamide IUPAC Name: 4-[[2-(5-chloro-2-fluorophenyl)-5-methoxypyrimidin-4-yl]amino]-N-[3-[(N-cyano-N'-methylcarbamimidoyl)amino]propyl]pyridine-3-carboxamide Traditional Name: 4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-[3-[(N-cyano-N'-methyl-amidino)amino]propyl]nicotinamide Formula: C23H23ClFN9O2 MolecularWeight: 511.939223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFN9O2/c1-27-23(32-13-26)30-8-3-7-29-22(35)16-11-28-9-6-18(16)33-21-19(36-2)12-31-20(34-21)15-10-14(24)4-5-17(15)25/h4-6,9-12H,3,7-8H2,1-2H3,(H,29,35)(H2,27,30,32)(H,28,31,33,34)