2-(2-diethylaminoethylsulfanyl)-6-oxidanyl-1-(phenylcarbonyl)-5-propyl-pyrimidin-4-one hydrochloride

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-6-oxidanyl-1-(phenylcarbonyl)-5-propyl-pyrimidin-4-one hydrochloride Openeye Name: 1-benzoyl-2-(2-diethylaminoethylsulfanyl)-6-hydroxy-5-propyl-pyrimidin-4-one hydrochloride CAS Name: 1-benzoyl-2-(2-diethylaminoethylthio)-6-hydroxy-5-propyl-4-pyrimidinone hydrochloride IUPAC Name: 1-benzoyl-2-(2-diethylaminoethylsulfanyl)-6-hydroxy-5-propylpyrimidin-4-one hydrochloride Traditional Name: 1-benzoyl-2-(2-diethylaminoethylthio)-6-hydroxy-5-propyl-pyrimidin-4-one hydrochloride Formula: C20H28ClN3O3S MolecularWeight: 425.97262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S.ClH/c1-4-10-16-17(24)21-20(27-14-13-22(5-2)6-3)23(19(16)26)18(25)15-11-8-7-9-12-15;/h7-9,11-12,26H,4-6,10,13-14H2,1-3H3;1H