6-methyl-2-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(4-piperidinosulfonylanilino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C18H21N4O4S2- MolecularWeight: 421.51374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)[O-]

InChI

InChI=1S/C18H22N4O4S2/c1-13-11-16(23)21-18(19-13)27-12-17(24)20-14-5-7-15(8-6-14)28(25,26)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,20,24)(H,19,21,23)/p-1