3-[2-[2-cyclopentyl-6-[(4-dimethylphosphorylphenyl)amino]purin-9-yl]ethyl]phenol

Systemtic Name: 3-[2-[2-cyclopentyl-6-[(4-dimethylphosphorylphenyl)amino]purin-9-yl]ethyl]phenol Openeye Name: 3-[2-[2-cyclopentyl-6-(4-dimethylphosphorylanilino)purin-9-yl]ethyl]phenol CAS Name: 3-[2-[2-cyclopentyl-6-(4-dimethylphosphorylanilino)-9-purinyl]ethyl]phenol IUPAC Name: 3-[2-[2-cyclopentyl-6-(4-dimethylphosphorylanilino)purin-9-yl]ethyl]phenol Traditional Name: 3-[2-[2-cyclopentyl-6-(4-dimethylphosphorylanilino)purin-9-yl]ethyl]phenol Formula: C26H30N5O2P MolecularWeight: 475.522461

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CCC4=CC(=CC=C4)O)C5CCCC5

Isomeric SMILES

CP(=O)(C)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CCC4=CC(=CC=C4)O)C5CCCC5

InChI

InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30)