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

Systemtic Name: 2-[[(1R,2S)-2-azanylcyclohexyl]amino]-4-[(4-cyano-3-pyrimidin-2-yl-phenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-cyano-3-pyrimidin-2-yl-anilino)pyrimidine-5-carboxamide CAS Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-cyano-3-(2-pyrimidinyl)anilino]-5-pyrimidinecarboxamide IUPAC Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-(4-cyano-3-pyrimidin-2-ylanilino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[4-cyano-3-(2-pyrimidyl)anilino]pyrimidine-5-carboxamide Formula: C22H23N9O MolecularWeight: 429.47772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N9O/c23-11-13-6-7-14(10-15(13)20-26-8-3-9-27-20)29-21-16(19(25)32)12-28-22(31-21)30-18-5-2-1-4-17(18)24/h3,6-10,12,17-18H,1-2,4-5,24H2,(H2,25,32)(H2,28,29,30,31)/t17-,18+/m0/s1