sodium ethyl 3-[[4-(2-chloranylpyridin-4-yl)pyrimidin-2-yl]amino]benzoate hydroxide

Systemtic Name: sodium ethyl 3-[[4-(2-chloranylpyridin-4-yl)pyrimidin-2-yl]amino]benzoate hydroxide Openeye Name: sodium ethyl 3-[[4-(2-chloro-4-pyridyl)pyrimidin-2-yl]amino]benzoate hydroxide CAS Name: sodium 3-[[4-(2-chloro-4-pyridinyl)-2-pyrimidinyl]amino]benzoic acid ethyl ester hydroxide IUPAC Name: sodium ethyl 3-[[4-(2-chloropyridin-4-yl)pyrimidin-2-yl]amino]benzoate hydroxide Traditional Name: sodium 3-[[4-(2-chloro-4-pyridyl)pyrimidin-2-yl]amino]benzoic acid ethyl ester hydroxide Formula: C18H16ClN4NaO3 MolecularWeight: 394.78741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)Cl.[OH-].[Na+]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)Cl.[OH-].[Na+]

InChI

InChI=1S/C18H15ClN4O2.Na.H2O/c1-2-25-17(24)13-4-3-5-14(10-13)22-18-21-9-7-15(23-18)12-6-8-20-16(19)11-12;;/h3-11H,2H2,1H3,(H,21,22,23);;1H2/q;+1;/p-1