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

Systemtic Name: 2-[[2-(cyclohexylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(cyclohexylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(cyclohexylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(cyclohexylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(cyclohexylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC(CC1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H20N4O2/c22-16(23)13-8-4-5-9-14(13)20-15-10-11-18-17(21-15)19-12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,22,23)(H2,18,19,20,21)