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

Systemtic Name: 6-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(6-methylpyrimidin-4-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=CC(=NC=N1)SC(C)C(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C16H15N3O3S/c1-9-5-15(18-8-17-9)23-10(2)16(21)11-3-4-13-12(6-11)19-14(20)7-22-13/h3-6,8,10H,7H2,1-2H3,(H,19,20)