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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4=CC=CC=C4

InChI

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