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

Systemtic Name: 6-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-3-4-12-8-15(22)21-18(19-12)26-10(2)17(24)11-5-6-14-13(7-11)20-16(23)9-25-14/h5-8,10H,3-4,9H2,1-2H3,(H,20,23)(H,19,21,22)