2-[[2-(dicyclohexylamino)pyrimidin-4-yl]amino]benzoic acid hydrochloride

Systemtic Name: 2-[[2-(dicyclohexylamino)pyrimidin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 2-[[2-(dicyclohexylamino)pyrimidin-4-yl]amino]benzoic acid hydrochloride CAS Name: 2-[[2-(dicyclohexylamino)-4-pyrimidinyl]amino]benzoic acid hydrochloride IUPAC Name: 2-[[2-(dicyclohexylamino)pyrimidin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 2-[[2-(dicyclohexylamino)pyrimidin-4-yl]amino]benzoic acid hydrochloride Formula: C23H31ClN4O2 MolecularWeight: 430.97084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C3=NC=CC(=N3)NC4=CC=CC=C4C(=O)O.Cl

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C3=NC=CC(=N3)NC4=CC=CC=C4C(=O)O.Cl

InChI

InChI=1S/C23H30N4O2.ClH/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);1H