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

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-6-oxidanyl-5-pentyl-1-(phenylcarbonyl)pyrimidin-4-one hydrochloride Openeye Name: 1-benzoyl-2-(2-diethylaminoethylsulfanyl)-6-hydroxy-5-pentyl-pyrimidin-4-one hydrochloride CAS Name: 1-benzoyl-2-(2-diethylaminoethylthio)-6-hydroxy-5-pentyl-4-pyrimidinone hydrochloride IUPAC Name: 1-benzoyl-2-(2-diethylaminoethylsulfanyl)-6-hydroxy-5-pentylpyrimidin-4-one hydrochloride Traditional Name: 5-amyl-1-benzoyl-2-(2-diethylaminoethylthio)-6-hydroxy-pyrimidin-4-one hydrochloride Formula: C22H32ClN3O3S MolecularWeight: 454.02578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=NC1=O)SCCN(CC)CC)C(=O)C2=CC=CC=C2)O.Cl

Isomeric SMILES

CCCCCC1=C(N(C(=NC1=O)SCCN(CC)CC)C(=O)C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C22H31N3O3S.ClH/c1-4-7-9-14-18-19(26)23-22(29-16-15-24(5-2)6-3)25(21(18)28)20(27)17-12-10-8-11-13-17;/h8,10-13,28H,4-7,9,14-16H2,1-3H3;1H