5-butyl-3-(2-methoxyphenyl)-6-oxidanylidene-2-phenacylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-butyl-3-(2-methoxyphenyl)-6-oxidanylidene-2-phenacylsulfanyl-pyrimidin-4-olate Openeye Name: 5-butyl-3-(2-methoxyphenyl)-6-oxo-2-phenacylsulfanyl-pyrimidin-4-olate CAS Name: 5-butyl-3-(2-methoxyphenyl)-6-oxo-2-(phenacylthio)-4-pyrimidinolate IUPAC Name: 5-butyl-3-(2-methoxyphenyl)-6-oxo-2-phenacylsulfanylpyrimidin-4-olate Traditional Name: 5-butyl-6-keto-3-(2-methoxyphenyl)-2-(phenacylthio)pyrimidin-4-olate Formula: C23H23N2O4S- MolecularWeight: 423.50472

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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=C3OC)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)C2=CC=CC=C2)C3=CC=CC=C3OC)[O-]

InChI

InChI=1S/C23H24N2O4S/c1-3-4-12-17-21(27)24-23(30-15-19(26)16-10-6-5-7-11-16)25(22(17)28)18-13-8-9-14-20(18)29-2/h5-11,13-14,28H,3-4,12,15H2,1-2H3/p-1