2-(2-diethylaminoethylsulfanyl)-5-octyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-5-octyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-(2-diethylaminoethylsulfanyl)-4-hydroxy-5-octyl-1H-pyrimidin-6-one CAS Name: 2-(2-diethylaminoethylthio)-4-hydroxy-5-octyl-1H-pyrimidin-6-one IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-4-hydroxy-5-octyl-1H-pyrimidin-6-one Traditional Name: 2-(2-diethylaminoethylthio)-4-hydroxy-5-octyl-1H-pyrimidin-6-one Formula: C18H33N3O2S MolecularWeight: 355.53852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N=C(NC1=O)SCCN(CC)CC)O

Isomeric SMILES

CCCCCCCCC1=C(N=C(NC1=O)SCCN(CC)CC)O

InChI

InChI=1S/C18H33N3O2S/c1-4-7-8-9-10-11-12-15-16(22)19-18(20-17(15)23)24-14-13-21(5-2)6-3/h4-14H2,1-3H3,(H2,19,20,22,23)