4-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]cyclohexyl]amino]pyrimidine-5-carbonitrile CAS Name: 4-[[4-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]cyclohexyl]amino]-5-pyrimidinecarbonitrile IUPAC Name: 4-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyrimidine-5-carbonitrile Traditional Name: 4-[[4-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]cyclohexyl]amino]pyrimidine-5-carbonitrile Formula: C18H23N7O MolecularWeight: 353.42152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)NC3=NC=NC=C3C#N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC2CCC(CC2)NC3=NC=NC=C3C#N)C#N

InChI

InChI=1S/C18H23N7O/c19-8-13-10-21-12-23-18(13)24-15-5-3-14(4-6-15)22-11-17(26)25-7-1-2-16(25)9-20/h10,12,14-16,22H,1-7,11H2,(H,21,23,24)/t14?,15?,16-/m0/s1