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

Systemtic Name: 2-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate Openeye Name: 2-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-bromoanilino)-2-oxoethyl]thio]-6-(4-methoxyphenyl)-4-pyrimidinolate IUPAC Name: 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-6-(4-methoxyphenyl)pyrimidin-4-olate Traditional Name: 2-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-6-(4-methoxyphenyl)pyrimidin-4-olate Formula: C19H15BrN3O3S- MolecularWeight: 445.3097

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C19H16BrN3O3S/c1-26-15-8-2-12(3-9-15)16-10-17(24)23-19(22-16)27-11-18(25)21-14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,25)(H,22,23,24)/p-1