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

Systemtic Name: 3-[2-[2-cyclopentyl-6-[[4-(diethoxyphosphorylmethoxy)phenyl]amino]purin-9-yl]ethyl]phenol Openeye Name: 3-[2-[2-cyclopentyl-6-[4-(diethoxyphosphorylmethoxy)anilino]purin-9-yl]ethyl]phenol CAS Name: 3-[2-[2-cyclopentyl-6-[4-(diethoxyphosphorylmethoxy)anilino]-9-purinyl]ethyl]phenol IUPAC Name: 3-[2-[2-cyclopentyl-6-[4-(diethoxyphosphorylmethoxy)anilino]purin-9-yl]ethyl]phenol Traditional Name: 3-[2-[2-cyclopentyl-6-[4-(diethoxyphosphorylmethoxy)anilino]purin-9-yl]ethyl]phenol Formula: C29H36N5O5P MolecularWeight: 565.600401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CCC4=CC(=CC=C4)O)C5CCCC5)OCC

Isomeric SMILES

CCOP(=O)(COC1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CCC4=CC(=CC=C4)O)C5CCCC5)OCC

InChI

InChI=1S/C29H36N5O5P/c1-3-38-40(36,39-4-2)20-37-25-14-12-23(13-15-25)31-28-26-29(33-27(32-28)22-9-5-6-10-22)34(19-30-26)17-16-21-8-7-11-24(35)18-21/h7-8,11-15,18-19,22,35H,3-6,9-10,16-17,20H2,1-2H3,(H,31,32,33)