N6-(4-methylsulfonylphenyl)-N2-(pyridin-2-ylmethyl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine

Systemtic Name: N6-(4-methylsulfonylphenyl)-N2-(pyridin-2-ylmethyl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine Openeye Name: N6-(4-methylsulfonylphenyl)-N2-(2-pyridylmethyl)-9-thiazol-4-yl-purine-2,6-diamine CAS Name: N6-(4-methylsulfonylphenyl)-N2-(2-pyridinylmethyl)-9-(4-thiazolyl)purine-2,6-diamine IUPAC Name: 6-N-(4-methylsulfonylphenyl)-2-N-(pyridin-2-ylmethyl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine Traditional Name: [6-(4-mesylanilino)-9-thiazol-4-yl-purin-2-yl]-(2-pyridylmethyl)amine Formula: C21H18N8O2S2 MolecularWeight: 478.55002

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4=CSC=N4)NCC5=CC=CC=N5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4=CSC=N4)NCC5=CC=CC=N5

InChI

InChI=1S/C21H18N8O2S2/c1-33(30,31)16-7-5-14(6-8-16)26-19-18-20(29(12-24-18)17-11-32-13-25-17)28-21(27-19)23-10-15-4-2-3-9-22-15/h2-9,11-13H,10H2,1H3,(H2,23,26,27,28)