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

Systemtic Name: 4-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]benzoic acid Openeye Name: 4-[2-(2-morpholinoethylamino)pyrimidin-4-yl]benzoic acid CAS Name: 4-[2-[2-(4-morpholinyl)ethylamino]-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-(2-morpholinoethylamino)pyrimidin-4-yl]benzoic acid Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1COCCN1CCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H20N4O3/c22-16(23)14-3-1-13(2-4-14)15-5-6-18-17(20-15)19-7-8-21-9-11-24-12-10-21/h1-6H,7-12H2,(H,22,23)(H,18,19,20)