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

Systemtic Name: N2-methyl-N2-(1-methylpiperidin-4-yl)-N6-(4-methylsulfonylphenyl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine Openeye Name: N2-methyl-N2-(1-methyl-4-piperidyl)-N6-(4-methylsulfonylphenyl)-9-thiazol-4-yl-purine-2,6-diamine CAS Name: N2-methyl-N2-(1-methyl-4-piperidinyl)-N6-(4-methylsulfonylphenyl)-9-(4-thiazolyl)purine-2,6-diamine IUPAC Name: 2-N-methyl-2-N-(1-methylpiperidin-4-yl)-6-N-(4-methylsulfonylphenyl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine Traditional Name: [6-(4-mesylanilino)-9-thiazol-4-yl-purin-2-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C22H26N8O2S2 MolecularWeight: 498.62424

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)(=O)C)N=CN3C5=CSC=N5

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)(=O)C)N=CN3C5=CSC=N5

InChI

InChI=1S/C22H26N8O2S2/c1-28-10-8-16(9-11-28)29(2)22-26-20(25-15-4-6-17(7-5-15)34(3,31)32)19-21(27-22)30(13-23-19)18-12-33-14-24-18/h4-7,12-14,16H,8-11H2,1-3H3,(H,25,26,27)