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

Systemtic Name: N2-methyl-N6-(4-methylsulfonylphenyl)-N2-(pyridin-2-ylmethyl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine Openeye Name: N2-methyl-N6-(4-methylsulfonylphenyl)-N2-(2-pyridylmethyl)-9-thiazol-4-yl-purine-2,6-diamine CAS Name: N2-methyl-N6-(4-methylsulfonylphenyl)-N2-(2-pyridinylmethyl)-9-(4-thiazolyl)purine-2,6-diamine IUPAC Name: 2-N-methyl-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]-methyl-(2-pyridylmethyl)amine Formula: C22H20N8O2S2 MolecularWeight: 492.5766

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)(=O)C)N=CN3C5=CSC=N5

Isomeric SMILES

CN(CC1=CC=CC=N1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)(=O)C)N=CN3C5=CSC=N5

InChI

InChI=1S/C22H20N8O2S2/c1-29(11-16-5-3-4-10-23-16)22-27-20(26-15-6-8-17(9-7-15)34(2,31)32)19-21(28-22)30(13-24-19)18-12-33-14-25-18/h3-10,12-14H,11H2,1-2H3,(H,26,27,28)