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

Systemtic Name: 2-[[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(4-morpholinoanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-[4-(4-morpholinyl)anilino]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(4-morpholinoanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=CC(=N3)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H21N5O3/c27-20(28)17-3-1-2-4-18(17)24-19-9-10-22-21(25-19)23-15-5-7-16(8-6-15)26-11-13-29-14-12-26/h1-10H,11-14H2,(H,27,28)(H2,22,23,24,25)