2-[2-(dimethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-3,5-diphenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-3,5-diphenyl-pyrimidin-4-olate Openeye Name: 2-[2-(dimethylammonio)ethylsulfanyl]-6-oxo-3,5-diphenyl-pyrimidin-4-olate CAS Name: 2-[2-(dimethylammonio)ethylthio]-6-oxo-3,5-diphenyl-4-pyrimidinolate IUPAC Name: 2-[2-(dimethylazaniumyl)ethylsulfanyl]-6-oxo-3,5-diphenylpyrimidin-4-olate Traditional Name: 2-[2-(dimethylammonio)ethylthio]-6-keto-3,5-diphenyl-pyrimidin-4-olate Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)[O-])C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCSC1=NC(=O)C(=C(N1C2=CC=CC=C2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/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