N-[4-azanyl-5-(2-fluoranyl-4-methoxy-phenyl)carbonyl-pyrimidin-2-yl]-N-piperidin-4-yl-methanesulfonamide

Systemtic Name: N-[4-azanyl-5-(2-fluoranyl-4-methoxy-phenyl)carbonyl-pyrimidin-2-yl]-N-piperidin-4-yl-methanesulfonamide Openeye Name: N-[4-amino-5-(2-fluoro-4-methoxy-benzoyl)pyrimidin-2-yl]-N-(4-piperidyl)methanesulfonamide CAS Name: N-[4-amino-5-[(2-fluoro-4-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]-N-(4-piperidinyl)methanesulfonamide IUPAC Name: N-[4-amino-5-(2-fluoro-4-methoxybenzoyl)pyrimidin-2-yl]-N-piperidin-4-ylmethanesulfonamide Traditional Name: N-[4-amino-5-(2-fluoro-4-methoxy-benzoyl)pyrimidin-2-yl]-N-(4-piperidyl)methanesulfonamide Formula: C18H22FN5O4S MolecularWeight: 423.461783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CN=C(N=C2N)N(C3CCNCC3)S(=O)(=O)C)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CN=C(N=C2N)N(C3CCNCC3)S(=O)(=O)C)F

InChI

InChI=1S/C18H22FN5O4S/c1-28-12-3-4-13(15(19)9-12)16(25)14-10-22-18(23-17(14)20)24(29(2,26)27)11-5-7-21-8-6-11/h3-4,9-11,21H,5-8H2,1-2H3,(H2,20,22,23)