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

Systemtic Name: 5-butyl-2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-butyl-2-[2-(diethylammonio)ethylsulfanyl]-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-butyl-2-[2-(diethylammonio)ethylthio]-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-butyl-2-[2-(diethylazaniumyl)ethylsulfanyl]-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-butyl-2-[2-(diethylammonio)ethylthio]-6-keto-3-phenyl-pyrimidin-4-olate Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC[NH+](CC)CC)C2=CC=CC=C2)[O-]

InChI

InChI=1S/C20H29N3O2S/c1-4-7-13-17-18(24)21-20(26-15-14-22(5-2)6-3)23(19(17)25)16-11-9-8-10-12-16/h8-12,25H,4-7,13-15H2,1-3H3