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

Systemtic Name: 6-[2-(6-methylpyrimidin-4-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(6-methylpyrimidin-4-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S/c1-9-4-15(17-8-16-9)22-7-12(19)10-2-3-13-11(5-10)18-14(20)6-21-13/h2-5,8H,6-7H2,1H3,(H,18,20)