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

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-butyl-3-(4-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-5-butyl-6-oxo-3-(p-tolyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-5-butyl-3-(4-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-5-butyl-3-(4-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-5-butyl-6-keto-3-(p-tolyl)pyrimidin-4-olate Formula: C23H23BrN3O3S- MolecularWeight: 501.41602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrN3O3S/c1-3-4-5-19-21(29)26-23(27(22(19)30)18-12-6-15(2)7-13-18)31-14-20(28)25-17-10-8-16(24)9-11-17/h6-13,30H,3-5,14H2,1-2H3,(H,25,28)/p-1