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

Systemtic Name: 2-(2-morpholin-4-ylethylsulfanyl)-6-oxidanylidene-5-pentyl-3-phenyl-pyrimidin-4-olate Openeye Name: 2-(2-morpholinoethylsulfanyl)-6-oxo-5-pentyl-3-phenyl-pyrimidin-4-olate CAS Name: 2-[2-(4-morpholinyl)ethylthio]-6-oxo-5-pentyl-3-phenyl-4-pyrimidinolate IUPAC Name: 2-(2-morpholin-4-ylethylsulfanyl)-6-oxo-5-pentyl-3-phenylpyrimidin-4-olate Traditional Name: 5-amyl-6-keto-2-(2-morpholinoethylthio)-3-phenyl-pyrimidin-4-olate Formula: C21H28N3O3S- MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=NC1=O)SCCN2CCOCC2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCCC1=C(N(C(=NC1=O)SCCN2CCOCC2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H29N3O3S/c1-2-3-5-10-18-19(25)22-21(28-16-13-23-11-14-27-15-12-23)24(20(18)26)17-8-6-4-7-9-17/h4,6-9,26H,2-3,5,10-16H2,1H3/p-1