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

Systemtic Name: N-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]butyl]methanesulfonamide Openeye Name: N-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]butyl]methanesulfonamide CAS Name: N-[4-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]butyl]methanesulfonamide IUPAC Name: N-[4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]butyl]methanesulfonamide Traditional Name: N-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]butyl]methanesulfonamide Formula: C17H22FN5O4S MolecularWeight: 411.451083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NCCCCNS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NCCCCNS(=O)(=O)C

InChI

InChI=1S/C17H22FN5O4S/c1-27-14-6-5-11(18)9-12(14)15(24)13-10-21-17(23-16(13)19)20-7-3-4-8-22-28(2,25)26/h5-6,9-10,22H,3-4,7-8H2,1-2H3,(H3,19,20,21,23)