2-[2-oxidanylidene-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[5-(1-piperidylsulfonyl)indolin-1-yl]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(5-piperidinosulfonylindolin-1-yl)ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C22H27N4O4S2- MolecularWeight: 475.60418

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4)[O-]

InChI

InChI=1S/C22H28N4O4S2/c1-2-6-17-14-20(27)24-22(23-17)31-15-21(28)26-12-9-16-13-18(7-8-19(16)26)32(29,30)25-10-4-3-5-11-25/h7-8,13-14H,2-6,9-12,15H2,1H3,(H,23,24,27)/p-1