6-[2-[(5-ethyl-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(5-ethyl-4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(5-ethyl-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(5-ethyl-4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(5-ethyl-4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(5-ethyl-4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)CC

Isomeric SMILES

CCCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)CC

InChI

InChI=1S/C19H21N3O4S/c1-3-5-13-12(4-2)18(25)22-19(21-13)27-10-15(23)11-6-7-16-14(8-11)20-17(24)9-26-16/h6-8H,3-5,9-10H2,1-2H3,(H,20,24)(H,21,22,25)