2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-3-phenyl-5-propan-2-yl-pyrimidin-4-olate

Systemtic Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-3-phenyl-5-propan-2-yl-pyrimidin-4-olate Openeye Name: 2-[2-(diethylammonio)ethylsulfanyl]-5-isopropyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 2-[2-(diethylammonio)ethylthio]-6-oxo-3-phenyl-5-propan-2-yl-4-pyrimidinolate IUPAC Name: 2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxo-3-phenyl-5-propan-2-ylpyrimidin-4-olate Traditional Name: 2-[2-(diethylammonio)ethylthio]-5-isopropyl-6-keto-3-phenyl-pyrimidin-4-olate Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-5-21(6-2)12-13-25-19-20-17(23)16(14(3)4)18(24)22(19)15-10-8-7-9-11-15/h7-11,14,24H,5-6,12-13H2,1-4H3