5-hexyl-2-(2-morpholin-4-ylethylsulfanyl)-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 5-hexyl-2-(2-morpholin-4-ylethylsulfanyl)-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-hexyl-2-(2-morpholinoethylsulfanyl)-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-hexyl-2-[2-(4-morpholinyl)ethylthio]-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-hexyl-2-(2-morpholin-4-ylethylsulfanyl)-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-hexyl-6-keto-2-(2-morpholinoethylthio)-3-phenyl-pyrimidin-4-olate Formula: C22H30N3O3S- MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=NC1=O)SCCN2CCOCC2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCCCC1=C(N(C(=NC1=O)SCCN2CCOCC2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H31N3O3S/c1-2-3-4-8-11-19-20(26)23-22(29-17-14-24-12-15-28-16-13-24)25(21(19)27)18-9-6-5-7-10-18/h5-7,9-10,27H,2-4,8,11-17H2,1H3/p-1