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

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-methyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-3-methyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-3-methyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-3-methyl-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-6-keto-3-methyl-pyrimidin-4-olate Formula: C13H11BrN3O3S- MolecularWeight: 369.21374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N=C1SCC(=O)NC2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

CN1C(=CC(=O)N=C1SCC(=O)NC2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C13H12BrN3O3S/c1-17-12(20)6-10(18)16-13(17)21-7-11(19)15-9-4-2-8(14)3-5-9/h2-6,20H,7H2,1H3,(H,15,19)/p-1