2-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H27N4O4S2- MolecularWeight: 463.59348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C)[O-]

InChI

InChI=1S/C21H28N4O4S2/c1-3-7-16-12-19(26)24-21(22-16)30-14-20(27)23-18-13-17(9-8-15(18)2)31(28,29)25-10-5-4-6-11-25/h8-9,12-13H,3-7,10-11,14H2,1-2H3,(H,23,27)(H,22,24,26)/p-1