4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[4-(1-benzotriazolyl)-2-pyrimidinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-(benzotriazol-1-yl)pyrimidin-2-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=CC(=N2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC(CCC1C(=O)O)NC2=NC=CC(=N2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H18N6O2/c24-16(25)11-5-7-12(8-6-11)19-17-18-10-9-15(20-17)23-14-4-2-1-3-13(14)21-22-23/h1-4,9-12H,5-8H2,(H,24,25)(H,18,19,20)