3-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid

Systemtic Name: 3-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid Openeye Name: 3-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid CAS Name: 3-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-pyrrolidinecarboxylic acid IUPAC Name: 3-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid Traditional Name: 3-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid Formula: C17H18FN5O4 MolecularWeight: 375.354323

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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(C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(C3)C(=O)O

InChI

InChI=1S/C17H18FN5O4/c1-27-13-3-2-9(18)6-11(13)14(24)12-7-20-16(22-15(12)19)21-10-4-5-23(8-10)17(25)26/h2-3,6-7,10H,4-5,8H2,1H3,(H,25,26)(H3,19,20,21,22)