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

Systemtic Name: 4-ethyl-6-[2-(6-methylpyrimidin-4-yl)sulfanylethanoyl]-1,4-benzoxazin-3-one Openeye Name: 4-ethyl-6-[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]-1,4-benzoxazin-3-one CAS Name: 4-ethyl-6-[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-ethyl-6-[2-(6-methylpyrimidin-4-yl)sulfanylacetyl]-1,4-benzoxazin-3-one Traditional Name: 4-ethyl-6-[2-[(6-methylpyrimidin-4-yl)thio]acetyl]-1,4-benzoxazin-3-one Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-3-20-13-7-12(4-5-15(13)23-8-17(20)22)14(21)9-24-16-6-11(2)18-10-19-16/h4-7,10H,3,8-9H2,1-2H3