N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N5O5S/c1-13-9-14(2)24-22(23-13)33-17-6-3-15(4-7-17)25-20(28)11-26-18-10-16(27(30)31)5-8-19(18)32-12-21(26)29/h3-10H,11-12H2,1-2H3,(H,25,28)