5-butyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate

Systemtic Name: 5-butyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-3-phenyl-pyrimidin-4-olate Openeye Name: 5-butyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-6-oxo-3-phenyl-pyrimidin-4-olate CAS Name: 5-butyl-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-6-oxo-3-phenyl-4-pyrimidinolate IUPAC Name: 5-butyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-3-phenylpyrimidin-4-olate Traditional Name: 5-butyl-6-keto-2-[[2-keto-2-(p-toluidino)ethyl]thio]-3-phenyl-pyrimidin-4-olate Formula: C23H24N3O3S- MolecularWeight: 422.51996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC2=CC=C(C=C2)C)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C23H25N3O3S/c1-3-4-10-19-21(28)25-23(26(22(19)29)18-8-6-5-7-9-18)30-15-20(27)24-17-13-11-16(2)12-14-17/h5-9,11-14,29H,3-4,10,15H2,1-2H3,(H,24,27)/p-1