2-(2-diethylaminoethylsulfanyl)-5-hexyl-6-oxidanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-5-hexyl-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 2-(2-diethylaminoethylsulfanyl)-5-hexyl-6-hydroxy-1-phenyl-pyrimidin-4-one CAS Name: 2-(2-diethylaminoethylthio)-5-hexyl-6-hydroxy-1-phenyl-4-pyrimidinone IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-5-hexyl-6-hydroxy-1-phenylpyrimidin-4-one Traditional Name: 2-(2-diethylaminoethylthio)-5-hexyl-6-hydroxy-1-phenyl-pyrimidin-4-one Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C(=NC1=O)SCCN(CC)CC)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCC1=C(N(C(=NC1=O)SCCN(CC)CC)C2=CC=CC=C2)O

InChI

InChI=1S/C22H33N3O2S/c1-4-7-8-12-15-19-20(26)23-22(28-17-16-24(5-2)6-3)25(21(19)27)18-13-10-9-11-14-18/h9-11,13-14,27H,4-8,12,15-17H2,1-3H3