2-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(3-methoxy-3-oxidanylidene-propyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(3-methoxy-3-oxidanylidene-propyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-bromoanilino)-2-oxo-ethyl]sulfanyl-5-(3-methoxy-3-oxo-propyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-bromoanilino)-2-oxoethyl]thio]-5-(3-methoxy-3-oxopropyl)-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-5-(3-methoxy-3-oxopropyl)-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2-bromoanilino)-2-keto-ethyl]thio]-5-(3-keto-3-methoxy-propyl)-6-methyl-pyrimidin-4-olate Formula: C17H17BrN3O4S- MolecularWeight: 439.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NC2=CC=CC=C2Br)[O-])CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NC2=CC=CC=C2Br)[O-])CCC(=O)OC

InChI

InChI=1S/C17H18BrN3O4S/c1-10-11(7-8-15(23)25-2)16(24)21-17(19-10)26-9-14(22)20-13-6-4-3-5-12(13)18/h3-6H,7-9H2,1-2H3,(H,20,22)(H,19,21,24)/p-1