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

Systemtic Name: 6-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-methyl-6-phenyl-pyrimidin-2-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(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

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