3-[[2,6-bis(chloranyl)phenyl]methyl]-5-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methyl]-5-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(2,6-dichlorophenyl)methyl]-5-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(2,6-dichlorophenyl)methyl]-5-[1-[4-(1-pyrrolidinylsulfonyl)phenyl]sulfonyl-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(2,6-dichlorophenyl)methyl]-5-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2,6-dichlorobenzyl)-5-[1-(4-pyrrolidinosulfonylphenyl)sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C26H27Cl2N7O5S2 MolecularWeight: 652.57248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC(=O)C5=NNN(C5=N4)CC6=C(C=CC=C6Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C4=NC(=O)C5=NNN(C5=N4)CC6=C(C=CC=C6Cl)Cl

InChI

InChI=1S/C26H27Cl2N7O5S2/c27-21-4-3-5-22(28)20(21)16-35-25-23(31-32-35)26(36)30-24(29-25)17-10-14-34(15-11-17)42(39,40)19-8-6-18(7-9-19)41(37,38)33-12-1-2-13-33/h3-9,17,32H,1-2,10-16H2