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

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-3-(2-methoxyphenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-3-(2-methoxyphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-3-(2-methoxyphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-6-keto-3-(2-methoxyphenyl)pyrimidin-4-olate Formula: C19H15BrN3O4S- MolecularWeight: 461.3091

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C19H16BrN3O4S/c1-27-15-5-3-2-4-14(15)23-18(26)10-16(24)22-19(23)28-11-17(25)21-13-8-6-12(20)7-9-13/h2-10,26H,11H2,1H3,(H,21,25)/p-1