6-(cyanomethyl)-N-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide

Systemtic Name: 6-(cyanomethyl)-N-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide Openeye Name: 6-(cyanomethyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide CAS Name: 6-(cyanomethyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-4-pyrimidinecarboxamide IUPAC Name: 6-(cyanomethyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide Traditional Name: 6-(cyanomethyl)-N-[(3-keto-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)CNC(=O)C3=CC(=NC=N3)CC#N

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)CNC(=O)C3=CC(=NC=N3)CC#N

InChI

InChI=1S/C16H13N5O3/c17-4-3-11-6-13(20-9-19-11)16(23)18-7-10-1-2-14-12(5-10)21-15(22)8-24-14/h1-2,5-6,9H,3,7-8H2,(H,18,23)(H,21,22)