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

Systemtic Name: N2-cyclohexyl-N2-methyl-N6-(4-methylsulfinylphenyl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine Openeye Name: N2-cyclohexyl-N2-methyl-N6-(4-methylsulfinylphenyl)-9-thiazol-4-yl-purine-2,6-diamine CAS Name: N2-cyclohexyl-N2-methyl-N6-(4-methylsulfinylphenyl)-9-(4-thiazolyl)purine-2,6-diamine IUPAC Name: 2-N-cyclohexyl-2-N-methyl-6-N-(4-methylsulfinylphenyl)-9-(1,3-thiazol-4-yl)purine-2,6-diamine Traditional Name: cyclohexyl-methyl-[6-(4-methylsulfinylanilino)-9-thiazol-4-yl-purin-2-yl]amine Formula: C22H25N7OS2 MolecularWeight: 467.6102

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)C)N=CN3C5=CSC=N5

Isomeric SMILES

CN(C1CCCCC1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)C)N=CN3C5=CSC=N5

InChI

InChI=1S/C22H25N7OS2/c1-28(16-6-4-3-5-7-16)22-26-20(25-15-8-10-17(11-9-15)32(2)30)19-21(27-22)29(13-23-19)18-12-31-14-24-18/h8-14,16H,3-7H2,1-2H3,(H,25,26,27)