(2S)-1-[2-[[3-(pyrimidin-2-ylamino)-1-adamantyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[2-[[3-(pyrimidin-2-ylamino)-1-adamantyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[2-[[3-(pyrimidin-2-ylamino)-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[1-oxo-2-[[3-(2-pyrimidinylamino)-1-adamantyl]amino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[2-[[3-(pyrimidin-2-ylamino)-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[[3-(2-pyrimidylamino)-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NC5=NC=CC=N5)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NC5=NC=CC=N5)C#N

InChI

InChI=1S/C21H28N6O/c22-12-17-3-1-6-27(17)18(28)13-25-20-8-15-7-16(9-20)11-21(10-15,14-20)26-19-23-4-2-5-24-19/h2,4-5,15-17,25H,1,3,6-11,13-14H2,(H,23,24,26)/t15?,16?,17-,20?,21?/m0/s1