(2S,5R)-1-[2-[[4-(pyrimidin-2-ylamino)cyclohexyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile

Systemtic Name: (2S,5R)-1-[2-[[4-(pyrimidin-2-ylamino)cyclohexyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile Openeye Name: (2S,5R)-1-[2-[[4-(pyrimidin-2-ylamino)cyclohexyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile CAS Name: (2S,5R)-1-[1-oxo-2-[[4-(2-pyrimidinylamino)cyclohexyl]amino]ethyl]pyrrolidine-2,5-dicarbonitrile IUPAC Name: (2S,5R)-1-[2-[[4-(pyrimidin-2-ylamino)cyclohexyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile Traditional Name: (2S,5R)-1-[2-[[4-(2-pyrimidylamino)cyclohexyl]amino]acetyl]pyrrolidine-2,5-dicarbonitrile Formula: C18H23N7O MolecularWeight: 353.42152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC(=O)N2C(CCC2C#N)C#N)NC3=NC=CC=N3

Isomeric SMILES

C1C[C@H](N([C@H]1C#N)C(=O)CNC2CCC(CC2)NC3=NC=CC=N3)C#N

InChI

InChI=1S/C18H23N7O/c19-10-15-6-7-16(11-20)25(15)17(26)12-23-13-2-4-14(5-3-13)24-18-21-8-1-9-22-18/h1,8-9,13-16,23H,2-7,12H2,(H,21,22,24)/t13?,14?,15-,16+