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

Systemtic Name: 4-methyl-6-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylethanoyl]-1,4-benzoxazin-3-one Openeye Name: 4-methyl-6-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylacetyl]-1,4-benzoxazin-3-one CAS Name: 4-methyl-6-[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-methyl-6-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylacetyl]-1,4-benzoxazin-3-one Traditional Name: 4-methyl-6-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]acetyl]-1,4-benzoxazin-3-one Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3C)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3C)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-14-23-17(15-6-4-3-5-7-15)11-21(24-14)29-13-19(26)16-8-9-20-18(10-16)25(2)22(27)12-28-20/h3-11H,12-13H2,1-2H3