6-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3)C

InChI

InChI=1S/C18H19N3O3S/c1-9-10(2)19-18(20-11(9)3)25-12(4)17(23)13-5-6-15-14(7-13)21-16(22)8-24-15/h5-7,12H,8H2,1-4H3,(H,21,22)