5-[3-[(4-ethylsulfonylphenyl)amino]-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 5-[3-[(4-ethylsulfonylphenyl)amino]-3-oxidanylidene-propyl]-6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-5-[3-(4-ethylsulfonylanilino)-3-oxo-propyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-6-methyl-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-5-[3-(4-ethylsulfonylanilino)-3-oxopropyl]-6-methylpyrimidin-4-olate Traditional Name: 2-(benzylthio)-5-[3-(4-esylanilino)-3-keto-propyl]-6-methyl-pyrimidin-4-olate Formula: C23H24N3O4S2- MolecularWeight: 470.58436

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(N=C(N=C2[O-])SCC3=CC=CC=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC2=C(N=C(N=C2[O-])SCC3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O4S2/c1-3-32(29,30)19-11-9-18(10-12-19)25-21(27)14-13-20-16(2)24-23(26-22(20)28)31-15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,25,27)(H,24,26,28)/p-1