3-[[4-[2-(3-oxidanylpropylamino)pyridin-4-yl]pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-[2-(3-oxidanylpropylamino)pyridin-4-yl]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-[2-(3-hydroxypropylamino)-4-pyridyl]pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[4-[2-(3-hydroxypropylamino)-4-pyridinyl]-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[4-[2-(3-hydroxypropylamino)pyridin-4-yl]pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-[2-(3-hydroxypropylamino)-4-pyridyl]pyrimidin-2-yl]amino]benzoic acid Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO)C(=O)O

InChI

InChI=1S/C19H19N5O3/c25-10-2-7-20-17-12-13(5-8-21-17)16-6-9-22-19(24-16)23-15-4-1-3-14(11-15)18(26)27/h1,3-6,8-9,11-12,25H,2,7,10H2,(H,20,21)(H,26,27)(H,22,23,24)