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

Systemtic Name: 6-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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