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

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(4-pyridin-2-ylphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(2-pyridyl)anilino]pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(2-pyridinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-pyridin-2-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-(2-pyridyl)anilino]pyrimidine-5-carboxamide Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7O/c23-17-5-1-2-7-19(17)28-22-26-13-16(20(24)30)21(29-22)27-15-10-8-14(9-11-15)18-6-3-4-12-25-18/h3-4,6,8-13,17,19H,1-2,5,7,23H2,(H2,24,30)(H2,26,27,28,29)/t17-,19+/m0/s1