1-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidin-1-yl]-3-piperidin-1-yl-propan-1-one

Systemtic Name: 1-[4-[[4-azanyl-5-(5-fluoranyl-2-methoxy-phenyl)carbonyl-pyrimidin-2-yl]amino]piperidin-1-yl]-3-piperidin-1-yl-propan-1-one Openeye Name: 1-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]-1-piperidyl]-3-(1-piperidyl)propan-1-one CAS Name: 1-[4-[[4-amino-5-[(5-fluoro-2-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinyl]-3-(1-piperidinyl)-1-propanone IUPAC Name: 1-[4-[[4-amino-5-(5-fluoro-2-methoxybenzoyl)pyrimidin-2-yl]amino]piperidin-1-yl]-3-piperidin-1-ylpropan-1-one Traditional Name: 1-[4-[[4-amino-5-(5-fluoro-2-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidino]-3-piperidino-propan-1-one Formula: C25H33FN6O3 MolecularWeight: 484.566323

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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(CC3)C(=O)CCN4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)C(=O)CCN4CCCCC4

InChI

InChI=1S/C25H33FN6O3/c1-35-21-6-5-17(26)15-19(21)23(34)20-16-28-25(30-24(20)27)29-18-7-13-32(14-8-18)22(33)9-12-31-10-3-2-4-11-31/h5-6,15-16,18H,2-4,7-14H2,1H3,(H3,27,28,29,30)