2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(3-fluoranyl-5-pyrimidin-2-yl-phenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(3-fluoranyl-5-pyrimidin-2-yl-phenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-fluoro-5-pyrimidin-2-yl-anilino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-fluoro-5-(2-pyrimidinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-fluoro-5-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-fluoro-5-(2-pyrimidyl)anilino]pyrimidine-5-carboxamide Formula: C21H23FN8O MolecularWeight: 422.458723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC(=C3)C4=NC=CC=N4)F)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC(=C3)C4=NC=CC=N4)F)C(=O)N

InChI

InChI=1S/C21H23FN8O/c22-13-8-12(19-25-6-3-7-26-19)9-14(10-13)28-20-15(18(24)31)11-27-21(30-20)29-17-5-2-1-4-16(17)23/h3,6-11,16-17H,1-2,4-5,23H2,(H2,24,31)(H2,27,28,29,30)/t16-,17+/m0/s1