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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)N(C2CCN(CC2)C(=O)O)C3=NC=CC(=N3)N

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)N(C2CCN(CC2)C(=O)O)C3=NC=CC(=N3)N

InChI

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