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

Systemtic Name: 2-[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H24ClN4O4S2- MolecularWeight: 484.01196

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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)Cl)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O4S2/c1-2-6-14-11-18(26)24-20(22-14)30-13-19(27)23-17-12-15(7-8-16(17)21)31(28,29)25-9-4-3-5-10-25/h7-8,11-12H,2-6,9-10,13H2,1H3,(H,23,27)(H,22,24,26)/p-1