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

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(3-pyrimidin-2-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(2-pyrimidinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(3-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(2-pyrimidyl)anilino]pyrimidine-5-carboxamide Formula: C21H24N8O MolecularWeight: 404.46826

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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)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)C(=O)N

InChI

InChI=1S/C21H24N8O/c22-16-7-1-2-8-17(16)28-21-26-12-15(18(23)30)20(29-21)27-14-6-3-5-13(11-14)19-24-9-4-10-25-19/h3-6,9-12,16-17H,1-2,7-8,22H2,(H2,23,30)(H2,26,27,28,29)/t16-,17+/m0/s1