2-methylpropyl 4-[[[6-[(4-ethoxycarbonyl-2-fluoranyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: 2-methylpropyl 4-[[[6-[(4-ethoxycarbonyl-2-fluoranyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: isobutyl 4-[[[6-(4-ethoxycarbonyl-2-fluoro-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(4-ethoxycarbonyl-2-fluoroanilino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[[6-(4-ethoxycarbonyl-2-fluoroanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(4-carbethoxy-2-fluoro-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid isobutyl ester Formula: C25H34FN5O4 MolecularWeight: 487.566963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OCC(C)C)F

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCN(CC3)C(=O)OCC(C)C)F

InChI

InChI=1S/C25H34FN5O4/c1-5-34-24(32)19-6-7-21(20(26)12-19)29-22-13-23(28-16-27-22)30(4)14-18-8-10-31(11-9-18)25(33)35-15-17(2)3/h6-7,12-13,16-18H,5,8-11,14-15H2,1-4H3,(H,27,28,29)