(2S)-1-[2-[[4-(pyrimidin-2-ylamino)cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[[4-(pyrimidin-2-ylamino)cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[4-(pyrimidin-2-ylamino)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[1-oxo-2-[[4-(2-pyrimidinylamino)cyclohexyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[4-(pyrimidin-2-ylamino)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[4-(2-pyrimidylamino)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C17H24N6O MolecularWeight: 328.41206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)NC3=NC=CC=N3)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC2CCC(CC2)NC3=NC=CC=N3)C#N

InChI

InChI=1S/C17H24N6O/c18-11-15-3-1-10-23(15)16(24)12-21-13-4-6-14(7-5-13)22-17-19-8-2-9-20-17/h2,8-9,13-15,21H,1,3-7,10,12H2,(H,19,20,22)/t13?,14?,15-/m0/s1