4-ethyl-6-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoyl]-1,4-benzoxazin-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)COC2=C1C=C(C=C2)C(=O)CSC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)COC2=C1C=C(C=C2)C(=O)CSC3=NC=NC(=C3)C4=CC=CC=C4

InChI

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