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

Systemtic Name: 2-[2-(dipropylamino)ethylsulfanyl]-6-oxidanyl-1-phenyl-5-propyl-pyrimidin-4-one hydrochloride Openeye Name: 2-[2-(dipropylamino)ethylsulfanyl]-6-hydroxy-1-phenyl-5-propyl-pyrimidin-4-one hydrochloride CAS Name: 2-[2-(dipropylamino)ethylthio]-6-hydroxy-1-phenyl-5-propyl-4-pyrimidinone hydrochloride IUPAC Name: 2-[2-(dipropylamino)ethylsulfanyl]-6-hydroxy-1-phenyl-5-propylpyrimidin-4-one hydrochloride Traditional Name: 2-[2-(dipropylamino)ethylthio]-6-hydroxy-1-phenyl-5-propyl-pyrimidin-4-one hydrochloride Formula: C21H32ClN3O2S MolecularWeight: 426.01568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=NC1=O)SCCN(CCC)CCC)C2=CC=CC=C2)O.Cl

Isomeric SMILES

CCCC1=C(N(C(=NC1=O)SCCN(CCC)CCC)C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C21H31N3O2S.ClH/c1-4-10-18-19(25)22-21(27-16-15-23(13-5-2)14-6-3)24(20(18)26)17-11-8-7-9-12-17;/h7-9,11-12,26H,4-6,10,13-16H2,1-3H3;1H