5-butyl-6-oxidanylidene-2-phenacylsulfanyl-3-phenyl-pyrimidin-4-olate

Systemtic Name: 5-butyl-6-oxidanylidene-2-phenacylsulfanyl-3-phenyl-pyrimidin-4-olate Openeye Name: 5-butyl-6-oxo-2-phenacylsulfanyl-3-phenyl-pyrimidin-4-olate CAS Name: 5-butyl-6-oxo-2-(phenacylthio)-3-phenyl-4-pyrimidinolate IUPAC Name: 5-butyl-6-oxo-2-phenacylsulfanyl-3-phenylpyrimidin-4-olate Traditional Name: 5-butyl-6-keto-2-(phenacylthio)-3-phenyl-pyrimidin-4-olate Formula: C22H21N2O3S- MolecularWeight: 393.47874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C22H22N2O3S/c1-2-3-14-18-20(26)23-22(24(21(18)27)17-12-8-5-9-13-17)28-15-19(25)16-10-6-4-7-11-16/h4-13,27H,2-3,14-15H2,1H3/p-1