methyl 4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: methyl 4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: methyl 4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid methyl ester Formula: C19H22FN5O4 MolecularWeight: 403.407483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)C(=O)OC

InChI

InChI=1S/C19H22FN5O4/c1-28-15-4-3-11(20)9-13(15)16(26)14-10-22-18(24-17(14)21)23-12-5-7-25(8-6-12)19(27)29-2/h3-4,9-10,12H,5-8H2,1-2H3,(H3,21,22,23,24)