5-acetamido-2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 5-acetamido-2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 5-acetamido-2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate CAS Name: 5-acetamido-2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 5-acetamido-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-olate Traditional Name: 5-acetamido-2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-6-keto-1H-pyrimidin-4-olate Formula: C14H12BrN4O4S- MolecularWeight: 412.23848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN4O4S/c1-7(20)16-11-12(22)18-14(19-13(11)23)24-6-10(21)17-9-4-2-8(15)3-5-9/h2-5H,6H2,1H3,(H,16,20)(H,17,21)(H2,18,19,22,23)/p-1