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

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2-fluoro-4-pyrazol-1-yl-anilino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[2-fluoro-4-(1-pyrazolyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2-fluoro-4-pyrazol-1-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(2-fluoro-4-pyrazol-1-yl-anilino)pyrimidine-5-carboxamide Formula: C20H23FN8O MolecularWeight: 410.448023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=C(C=C(C=C3)N4C=CC=N4)F)C(=O)N

Isomeric SMILES

C1CC[C@H]([C@H](C1)N)NC2=NC=C(C(=N2)NC3=C(C=C(C=C3)N4C=CC=N4)F)C(=O)N

InChI

InChI=1S/C20H23FN8O/c21-14-10-12(29-9-3-8-25-29)6-7-16(14)26-19-13(18(23)30)11-24-20(28-19)27-17-5-2-1-4-15(17)22/h3,6-11,15,17H,1-2,4-5,22H2,(H2,23,30)(H2,24,26,27,28)/t15-,17+/m0/s1