6-chloranyl-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]-4-phenylmethoxy-butyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]-4-phenylmethoxy-butyl]purin-2-amine Openeye Name: 9-[4-benzyloxy-2-(diisopropoxyphosphorylmethoxy)butyl]-6-chloro-purin-2-amine CAS Name: 6-chloro-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]-4-phenylmethoxybutyl]-2-purinamine IUPAC Name: 6-chloro-9-[2-[di(propan-2-yloxy)phosphorylmethoxy]-4-phenylmethoxybutyl]purin-2-amine Traditional Name: [9-[4-benzoxy-2-(diisopropoxyphosphorylmethoxy)butyl]-6-chloro-purin-2-yl]amine Formula: C23H33ClN5O5P MolecularWeight: 525.965381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COC(CCOCC1=CC=CC=C1)CN2C=NC3=C2N=C(N=C3Cl)N)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(COC(CCOCC1=CC=CC=C1)CN2C=NC3=C2N=C(N=C3Cl)N)OC(C)C

InChI

InChI=1S/C23H33ClN5O5P/c1-16(2)33-35(30,34-17(3)4)15-32-19(10-11-31-13-18-8-6-5-7-9-18)12-29-14-26-20-21(24)27-23(25)28-22(20)29/h5-9,14,16-17,19H,10-13,15H2,1-4H3,(H2,25,27,28)