2-[2-(dipropylamino)ethylsulfanyl]-5-octyl-4-oxidanyl-1H-pyrimidin-6-one hydrochloride

Systemtic Name: 2-[2-(dipropylamino)ethylsulfanyl]-5-octyl-4-oxidanyl-1H-pyrimidin-6-one hydrochloride Openeye Name: 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-octyl-1H-pyrimidin-6-one hydrochloride CAS Name: 2-[2-(dipropylamino)ethylthio]-4-hydroxy-5-octyl-1H-pyrimidin-6-one hydrochloride IUPAC Name: 2-[2-(dipropylamino)ethylsulfanyl]-4-hydroxy-5-octyl-1H-pyrimidin-6-one hydrochloride Traditional Name: 2-[2-(dipropylamino)ethylthio]-4-hydroxy-5-octyl-1H-pyrimidin-6-one hydrochloride Formula: C20H38ClN3O2S MolecularWeight: 420.05262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N=C(NC1=O)SCCN(CCC)CCC)O.Cl

Isomeric SMILES

CCCCCCCCC1=C(N=C(NC1=O)SCCN(CCC)CCC)O.Cl

InChI

InChI=1S/C20H37N3O2S.ClH/c1-4-7-8-9-10-11-12-17-18(24)21-20(22-19(17)25)26-16-15-23(13-5-2)14-6-3;/h4-16H2,1-3H3,(H2,21,22,24,25);1H