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

Systemtic Name: propyl 4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H26FN5O4 MolecularWeight: 431.460643

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCCOC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H26FN5O4/c1-3-10-31-21(29)27-8-6-14(7-9-27)25-20-24-12-16(19(23)26-20)18(28)15-11-13(22)4-5-17(15)30-2/h4-5,11-12,14H,3,6-10H2,1-2H3,(H3,23,24,25,26)