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

Systemtic Name: 6-[2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-10(2)18-19-11(3)6-17(21-18)25-9-14(22)12-4-5-15-13(7-12)20-16(23)8-24-15/h4-7,10H,8-9H2,1-3H3,(H,20,23)