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

Systemtic Name: N2-methyl-N6-(4-methylsulfonylphenyl)-N2-(pyridin-2-ylmethyl)-9-thiophen-3-yl-purine-2,6-diamine Openeye Name: N2-methyl-N6-(4-methylsulfonylphenyl)-N2-(2-pyridylmethyl)-9-(3-thienyl)purine-2,6-diamine CAS Name: N2-methyl-N6-(4-methylsulfonylphenyl)-N2-(2-pyridinylmethyl)-9-(3-thiophenyl)purine-2,6-diamine IUPAC Name: 2-N-methyl-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]-methyl-(2-pyridylmethyl)amine Formula: C23H21N7O2S2 MolecularWeight: 491.58854

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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=C5

Isomeric SMILES

CN(CC1=CC=CC=N1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)(=O)C)N=CN3C5=CSC=C5

InChI

InChI=1S/C23H21N7O2S2/c1-29(13-17-5-3-4-11-24-17)23-27-21(26-16-6-8-19(9-7-16)34(2,31)32)20-22(28-23)30(15-25-20)18-10-12-33-14-18/h3-12,14-15H,13H2,1-2H3,(H,26,27,28)