1-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidin-1-yl]butan-1-one

Systemtic Name: 1-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidin-1-yl]butan-1-one Openeye Name: 1-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]-1-piperidyl]butan-1-one CAS Name: 1-[4-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinyl]-1-butanone IUPAC Name: 1-[4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]butan-1-one Traditional Name: 1-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidino]butan-1-one Formula: C21H26FN5O3 MolecularWeight: 415.461243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN5O3/c1-3-4-18(28)27-9-7-14(8-10-27)25-21-24-12-16(20(23)26-21)19(29)15-11-13(22)5-6-17(15)30-2/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H3,23,24,25,26)