6-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H17N3O3S MolecularWeight: 391.44298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H17N3O3S/c1-13-9-16(14-5-3-2-4-6-14)24-21(22-13)28-12-18(25)15-7-8-19-17(10-15)23-20(26)11-27-19/h2-10H,11-12H2,1H3,(H,23,26)