3-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]amino]pyrazine-2-carbonitrile

Systemtic Name: 3-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]cyclohexyl]amino]pyrazine-2-carbonitrile Openeye Name: 3-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]cyclohexyl]amino]pyrazine-2-carbonitrile CAS Name: 3-[[4-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]cyclohexyl]amino]-2-pyrazinecarbonitrile IUPAC Name: 3-[[4-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]cyclohexyl]amino]pyrazine-2-carbonitrile Traditional Name: 3-[[4-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]cyclohexyl]amino]pyrazinonitrile Formula: C18H23N7O MolecularWeight: 353.42152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N7O/c19-10-15-2-1-9-25(15)17(26)12-23-13-3-5-14(6-4-13)24-18-16(11-20)21-7-8-22-18/h7-8,13-15,23H,1-6,9,12H2,(H,22,24)/t13?,14?,15-/m0/s1