5-butyl-1-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-6-oxidanyl-pyrimidin-4-one

Systemtic Name: 5-butyl-1-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-6-oxidanyl-pyrimidin-4-one Openeye Name: 5-butyl-6-hydroxy-2-(2-morpholino-2-oxo-ethyl)sulfanyl-1-(o-tolyl)pyrimidin-4-one CAS Name: 5-butyl-6-hydroxy-1-(2-methylphenyl)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-4-pyrimidinone IUPAC Name: 5-butyl-6-hydroxy-1-(2-methylphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyrimidin-4-one Traditional Name: 5-butyl-6-hydroxy-2-[(2-keto-2-morpholino-ethyl)thio]-1-(o-tolyl)pyrimidin-4-one Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)N2CCOCC2)C3=CC=CC=C3C)O

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)N2CCOCC2)C3=CC=CC=C3C)O

InChI

InChI=1S/C21H27N3O4S/c1-3-4-8-16-19(26)22-21(29-14-18(25)23-10-12-28-13-11-23)24(20(16)27)17-9-6-5-7-15(17)2/h5-7,9,27H,3-4,8,10-14H2,1-2H3