9-[2-[bis[(4-chlorophenyl)methoxy]phosphorylmethoxy]ethoxy]purin-6-amine

Systemtic Name: 9-[2-[bis[(4-chlorophenyl)methoxy]phosphorylmethoxy]ethoxy]purin-6-amine Openeye Name: 9-[2-[bis[(4-chlorophenyl)methoxy]phosphorylmethoxy]ethoxy]purin-6-amine CAS Name: 9-[2-[bis[(4-chlorophenyl)methoxy]phosphorylmethoxy]ethoxy]-6-purinamine IUPAC Name: 9-[2-[bis[(4-chlorophenyl)methoxy]phosphorylmethoxy]ethoxy]purin-6-amine Traditional Name: [9-[2-[bis[(4-chlorobenzyl)oxy]phosphorylmethoxy]ethoxy]purin-6-yl]amine Formula: C22H22Cl2N5O5P MolecularWeight: 538.320341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COP(=O)(COCCON2C=NC3=C2N=CN=C3N)OCC4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1COP(=O)(COCCON2C=NC3=C2N=CN=C3N)OCC4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N5O5P/c23-18-5-1-16(2-6-18)11-33-35(30,34-12-17-3-7-19(24)8-4-17)15-31-9-10-32-29-14-28-20-21(25)26-13-27-22(20)29/h1-8,13-14H,9-12,15H2,(H2,25,26,27)