2-(2-diethylaminoethylsulfanyl)-4-oxidanyl-5-phenyl-1H-pyrimidin-6-one; hydron; chloride

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-4-oxidanyl-5-phenyl-1H-pyrimidin-6-one; hydron; chloride Openeye Name: 2-(2-diethylaminoethylsulfanyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one; hydron; chloride CAS Name: 2-(2-diethylaminoethylthio)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one; hydron; chloride IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one; hydron; chloride Traditional Name: 2-(2-diethylaminoethylthio)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one; hydron; chloride Formula: C16H22ClN3O2S MolecularWeight: 355.88278

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCN(CC)CCSC1=NC(=C(C(=O)N1)C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

[H+].CCN(CC)CCSC1=NC(=C(C(=O)N1)C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C16H21N3O2S.ClH/c1-3-19(4-2)10-11-22-16-17-14(20)13(15(21)18-16)12-8-6-5-7-9-12;/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,20,21);1H