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

Systemtic Name: 6-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-2-3-11-7-15(22)20-17(18-11)25-9-13(21)10-4-5-14-12(6-10)19-16(23)8-24-14/h4-7H,2-3,8-9H2,1H3,(H,19,23)(H,18,20,22)