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

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-ethoxyphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-3-(2-ethoxyphenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-3-(2-ethoxyphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-3-(2-ethoxyphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-6-keto-3-o-phenetyl-pyrimidin-4-olate Formula: C20H17BrN3O4S- MolecularWeight: 475.33568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C20H18BrN3O4S/c1-2-28-16-6-4-3-5-15(16)24-19(27)11-17(25)23-20(24)29-12-18(26)22-14-9-7-13(21)8-10-14/h3-11,27H,2,12H2,1H3,(H,22,26)/p-1