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

Systemtic Name: 2-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H18ClN4O4S2- MolecularWeight: 441.93222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)[O-]

InChI

InChI=1S/C17H19ClN4O4S2/c1-11-8-15(23)21-17(19-11)27-10-16(24)20-14-9-12(4-5-13(14)18)28(25,26)22-6-2-3-7-22/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,20,24)(H,19,21,23)/p-1