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

Systemtic Name: 5-butyl-2-(2-morpholin-4-ylethylsulfanyl)-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-butyl-2-(2-morpholinoethylsulfanyl)-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-butyl-2-[2-(4-morpholinyl)ethylthio]-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-butyl-2-(2-morpholin-4-ylethylsulfanyl)-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-butyl-6-keto-2-(2-morpholinoethylthio)-3-phenyl-pyrimidin-4-olate Formula: C20H26N3O3S- MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCCN2CCOCC2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCCN2CCOCC2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H27N3O3S/c1-2-3-9-17-18(24)21-20(27-15-12-22-10-13-26-14-11-22)23(19(17)25)16-7-5-4-6-8-16/h4-8,25H,2-3,9-15H2,1H3/p-1