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

Systemtic Name: N2-cyclohexyl-N6-(4-dimethylphosphorylphenyl)-N2-methyl-9-(1,3-thiazol-4-yl)purine-2,6-diamine Openeye Name: N2-cyclohexyl-N6-(4-dimethylphosphorylphenyl)-N2-methyl-9-thiazol-4-yl-purine-2,6-diamine CAS Name: N2-cyclohexyl-N6-(4-dimethylphosphorylphenyl)-N2-methyl-9-(4-thiazolyl)purine-2,6-diamine IUPAC Name: 2-N-cyclohexyl-6-N-(4-dimethylphosphorylphenyl)-2-N-methyl-9-(1,3-thiazol-4-yl)purine-2,6-diamine Traditional Name: cyclohexyl-[6-(4-dimethylphosphorylanilino)-9-thiazol-4-yl-purin-2-yl]-methyl-amine Formula: C23H28N7OPS MolecularWeight: 481.553481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N7OPS/c1-29(17-7-5-4-6-8-17)23-27-21(26-16-9-11-18(12-10-16)32(2,3)31)20-22(28-23)30(14-24-20)19-13-33-15-25-19/h9-15,17H,4-8H2,1-3H3,(H,26,27,28)