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

Systemtic Name: 6-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(6-phenylpyrimidin-4-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-13(21(26)15-7-8-18-17(9-15)24-19(25)11-27-18)28-20-10-16(22-12-23-20)14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,24,25)