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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2C)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2C)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

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