2-[[2-(azepan-1-yl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-[[2-(azepan-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: 2-[[2-(azepan-1-yl)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[2-(1-azepanyl)-4-pyrimidinyl]amino]benzoate IUPAC Name: 2-[[2-(azepan-1-yl)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[2-(azepan-1-yl)pyrimidin-4-yl]amino]benzoate Formula: C17H19N4O2- MolecularWeight: 311.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=NC=CC(=N2)NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C17H20N4O2/c22-16(23)13-7-3-4-8-14(13)19-15-9-10-18-17(20-15)21-11-5-1-2-6-12-21/h3-4,7-10H,1-2,5-6,11-12H2,(H,22,23)(H,18,19,20)/p-1