2-(2-diethylaminoethylsulfanyl)-6-oxidanyl-1,5-diphenyl-pyrimidin-4-one hydrochloride

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-6-oxidanyl-1,5-diphenyl-pyrimidin-4-one hydrochloride Openeye Name: 2-(2-diethylaminoethylsulfanyl)-6-hydroxy-1,5-diphenyl-pyrimidin-4-one hydrochloride CAS Name: 2-(2-diethylaminoethylthio)-6-hydroxy-1,5-diphenyl-4-pyrimidinone hydrochloride IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-6-hydroxy-1,5-diphenylpyrimidin-4-one hydrochloride Traditional Name: 2-(2-diethylaminoethylthio)-6-hydroxy-1,5-diphenyl-pyrimidin-4-one hydrochloride Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3=CC=CC=C3.Cl

Isomeric SMILES

CCN(CC)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C22H25N3O2S.ClH/c1-3-24(4-2)15-16-28-22-23-20(26)19(17-11-7-5-8-12-17)21(27)25(22)18-13-9-6-10-14-18;/h5-14,27H,3-4,15-16H2,1-2H3;1H