2-[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[[4-(4-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[[4-(4-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H12BrN4O2S2- MolecularWeight: 436.32608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C16H13BrN4O2S2/c1-9-6-13(22)20-15(18-9)25-8-14(23)21-16-19-12(7-24-16)10-2-4-11(17)5-3-10/h2-7H,8H2,1H3,(H,18,20,22)(H,19,21,23)/p-1