N-[[(4Z)-5-oxidanylidene-4-[(pyrimidin-2-ylamino)methylidene]-1,3-oxazol-2-yl]methyl]benzamide

Systemtic Name: N-[[(4Z)-5-oxidanylidene-4-[(pyrimidin-2-ylamino)methylidene]-1,3-oxazol-2-yl]methyl]benzamide Openeye Name: N-[[(4Z)-5-oxo-4-[(pyrimidin-2-ylamino)methylene]oxazol-2-yl]methyl]benzamide CAS Name: N-[[(4Z)-5-oxo-4-[(2-pyrimidinylamino)methylidene]-2-oxazolyl]methyl]benzamide IUPAC Name: N-[[(4Z)-5-oxo-4-[(pyrimidin-2-ylamino)methylidene]-1,3-oxazol-2-yl]methyl]benzamide Traditional Name: N-[[(4Z)-5-keto-4-[(2-pyrimidylamino)methylene]-2-oxazolin-2-yl]methyl]benzamide Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=NC(=CNC3=NC=CC=N3)C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=N/C(=C\NC3=NC=CC=N3)/C(=O)O2

InChI

InChI=1S/C16H13N5O3/c22-14(11-5-2-1-3-6-11)19-10-13-21-12(15(23)24-13)9-20-16-17-7-4-8-18-16/h1-9H,10H2,(H,19,22)(H,17,18,20)/b12-9-