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

Systemtic Name: 4-[[4-azanyl-5-(2-fluoranyl-4-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylic acid Openeye Name: 4-[[4-amino-5-(2-fluoro-4-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid CAS Name: 4-[[4-amino-5-[(2-fluoro-4-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-amino-5-(2-fluoro-4-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid Traditional Name: 4-[[4-amino-5-(2-fluoro-4-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylic acid Formula: C18H20FN5O4 MolecularWeight: 389.380903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN5O4/c1-28-11-2-3-12(14(19)8-11)15(25)13-9-21-17(23-16(13)20)22-10-4-6-24(7-5-10)18(26)27/h2-3,8-10H,4-7H2,1H3,(H,26,27)(H3,20,21,22,23)