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

Systemtic Name: 2-(2-dimethylaminoethylsulfanyl)-6-oxidanyl-1,5-diphenyl-pyrimidin-4-one hydrochloride Openeye Name: 2-(2-dimethylaminoethylsulfanyl)-6-hydroxy-1,5-diphenyl-pyrimidin-4-one hydrochloride CAS Name: 2-(2-dimethylaminoethylthio)-6-hydroxy-1,5-diphenyl-4-pyrimidinone hydrochloride IUPAC Name: 2-(2-dimethylaminoethylsulfanyl)-6-hydroxy-1,5-diphenylpyrimidin-4-one hydrochloride Traditional Name: 2-(2-dimethylaminoethylthio)-6-hydroxy-1,5-diphenyl-pyrimidin-4-one hydrochloride Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S.ClH/c1-22(2)13-14-26-20-21-18(24)17(15-9-5-3-6-10-15)19(25)23(20)16-11-7-4-8-12-16;/h3-12,25H,13-14H2,1-2H3;1H