2-(azepan-1-yl)-N-(4-dimethylphosphorylphenyl)-9-(1,3-thiazol-4-yl)purin-6-amine

Systemtic Name: 2-(azepan-1-yl)-N-(4-dimethylphosphorylphenyl)-9-(1,3-thiazol-4-yl)purin-6-amine Openeye Name: 2-(azepan-1-yl)-N-(4-dimethylphosphorylphenyl)-9-thiazol-4-yl-purin-6-amine CAS Name: 2-(1-azepanyl)-N-(4-dimethylphosphorylphenyl)-9-(4-thiazolyl)-6-purinamine IUPAC Name: 2-(azepan-1-yl)-N-(4-dimethylphosphorylphenyl)-9-(1,3-thiazol-4-yl)purin-6-amine Traditional Name: [2-(azepan-1-yl)-9-thiazol-4-yl-purin-6-yl]-(4-dimethylphosphorylphenyl)amine Formula: C22H26N7OPS MolecularWeight: 467.526901

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4=CSC=N4)N5CCCCCC5

Isomeric SMILES

CP(=O)(C)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C4=CSC=N4)N5CCCCCC5

InChI

InChI=1S/C22H26N7OPS/c1-31(2,30)17-9-7-16(8-10-17)25-20-19-21(29(14-23-19)18-13-32-15-24-18)27-22(26-20)28-11-5-3-4-6-12-28/h7-10,13-15H,3-6,11-12H2,1-2H3,(H,25,26,27)