4-[[5-cyano-2-(pyridin-2-ylamino)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-cyano-2-(pyridin-2-ylamino)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[5-cyano-2-(2-pyridylamino)pyrimidin-4-yl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[5-cyano-2-(2-pyridinylamino)-4-pyrimidinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-cyano-2-(pyridin-2-ylamino)pyrimidin-4-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[5-cyano-2-(2-pyridylamino)pyrimidin-4-yl]amino]cyclohexanecarboxylic acid Formula: C17H18N6O2 MolecularWeight: 338.36382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NC2=NC(=NC=C2C#N)NC3=CC=CC=N3

Isomeric SMILES

C1CC(CCC1C(=O)O)NC2=NC(=NC=C2C#N)NC3=CC=CC=N3

InChI

InChI=1S/C17H18N6O2/c18-9-12-10-20-17(22-14-3-1-2-8-19-14)23-15(12)21-13-6-4-11(5-7-13)16(24)25/h1-3,8,10-11,13H,4-7H2,(H,24,25)(H2,19,20,21,22,23)