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

Systemtic Name: 2-methylpropyl 4-[[[6-[(4-carbamimidoyl-2-fluoranyl-phenyl)amino]pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate Openeye Name: isobutyl 4-[[[6-(4-carbamimidoyl-2-fluoro-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-(4-carbamimidoyl-2-fluoroanilino)-4-pyrimidinyl]-methylamino]methyl]-1-piperidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[[6-(4-carbamimidoyl-2-fluoroanilino)pyrimidin-4-yl]-methylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-(4-amidino-2-fluoro-anilino)pyrimidin-4-yl]-methyl-amino]methyl]piperidine-1-carboxylic acid isobutyl ester Formula: C23H32FN7O2 MolecularWeight: 457.544283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=C(C=C(C=C3)C(=N)N)F

Isomeric SMILES

CC(C)COC(=O)N1CCC(CC1)CN(C)C2=NC=NC(=C2)NC3=C(C=C(C=C3)C(=N)N)F

InChI

InChI=1S/C23H32FN7O2/c1-15(2)13-33-23(32)31-8-6-16(7-9-31)12-30(3)21-11-20(27-14-28-21)29-19-5-4-17(22(25)26)10-18(19)24/h4-5,10-11,14-16H,6-9,12-13H2,1-3H3,(H3,25,26)(H,27,28,29)