N-(4-dimethylphosphorylphenyl)-2-(2-methylmorpholin-4-yl)-9-thiophen-3-yl-purin-6-amine

Systemtic Name: N-(4-dimethylphosphorylphenyl)-2-(2-methylmorpholin-4-yl)-9-thiophen-3-yl-purin-6-amine Openeye Name: N-(4-dimethylphosphorylphenyl)-2-(2-methylmorpholin-4-yl)-9-(3-thienyl)purin-6-amine CAS Name: N-(4-dimethylphosphorylphenyl)-2-(2-methyl-4-morpholinyl)-9-(3-thiophenyl)-6-purinamine IUPAC Name: N-(4-dimethylphosphorylphenyl)-2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-amine Traditional Name: (4-dimethylphosphorylphenyl)-[2-(2-methylmorpholino)-9-(3-thienyl)purin-6-yl]amine Formula: C22H25N6O2PS MolecularWeight: 468.511661

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)P(=O)(C)C)N=CN3C5=CSC=C5

Isomeric SMILES

CC1CN(CCO1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)P(=O)(C)C)N=CN3C5=CSC=C5

InChI

InChI=1S/C22H25N6O2PS/c1-15-12-27(9-10-30-15)22-25-20(24-16-4-6-18(7-5-16)31(2,3)29)19-21(26-22)28(14-23-19)17-8-11-32-13-17/h4-8,11,13-15H,9-10,12H2,1-3H3,(H,24,25,26)