2-[[2-(dicyclohexylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-[[2-(dicyclohexylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: 2-[[2-(dicyclohexylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[2-(dicyclohexylamino)-4-pyrimidinyl]amino]benzoate IUPAC Name: 2-[[2-(dicyclohexylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[2-(dicyclohexylamino)pyrimidin-4-yl]amino]benzoate Formula: C23H29N4O2- MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C3=NC=CC(=N3)NC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C3=NC=CC(=N3)NC4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C23H30N4O2/c28-22(29)19-13-7-8-14-20(19)25-21-15-16-24-23(26-21)27(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-18H,1-6,9-12H2,(H,28,29)(H,24,25,26)/p-1