ethyl 3-[1-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)propanoate

Systemtic Name: ethyl 3-[1-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)propanoate Openeye Name: ethyl 3-[1-(2-amino-6-chloro-pyrimidin-4-yl)-4-piperidyl]-3-(4-fluorophenyl)propanoate CAS Name: 3-[1-(2-amino-6-chloro-4-pyrimidinyl)-4-piperidinyl]-3-(4-fluorophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]-3-(4-fluorophenyl)propanoate Traditional Name: 3-[1-(2-amino-6-chloro-pyrimidin-4-yl)-4-piperidyl]-3-(4-fluorophenyl)propionic acid ethyl ester Formula: C20H24ClFN4O2 MolecularWeight: 406.881563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1CCN(CC1)C2=CC(=NC(=N2)N)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)CC(C1CCN(CC1)C2=CC(=NC(=N2)N)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24ClFN4O2/c1-2-28-19(27)11-16(13-3-5-15(22)6-4-13)14-7-9-26(10-8-14)18-12-17(21)24-20(23)25-18/h3-6,12,14,16H,2,7-11H2,1H3,(H2,23,24,25)