N6-(4-methylsulfonylphenyl)-N2-(pyridin-2-ylmethyl)-9-thiophen-3-yl-purine-2,6-diamine

Systemtic Name: N6-(4-methylsulfonylphenyl)-N2-(pyridin-2-ylmethyl)-9-thiophen-3-yl-purine-2,6-diamine Openeye Name: N6-(4-methylsulfonylphenyl)-N2-(2-pyridylmethyl)-9-(3-thienyl)purine-2,6-diamine CAS Name: N6-(4-methylsulfonylphenyl)-N2-(2-pyridinylmethyl)-9-(3-thiophenyl)purine-2,6-diamine IUPAC Name: 6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-9-thiophen-3-ylpurine-2,6-diamine Traditional Name: [6-(4-mesylanilino)-9-(3-thienyl)purin-2-yl]-(2-pyridylmethyl)amine Formula: C22H19N7O2S2 MolecularWeight: 477.56196

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4=CSC=C4)NCC5=CC=CC=N5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4=CSC=C4)NCC5=CC=CC=N5

InChI

InChI=1S/C22H19N7O2S2/c1-33(30,31)18-7-5-15(6-8-18)26-20-19-21(29(14-25-19)17-9-11-32-13-17)28-22(27-20)24-12-16-4-2-3-10-23-16/h2-11,13-14H,12H2,1H3,(H2,24,26,27,28)