6-chloranyl-9-[[(1S)-1-diethoxyphosphoryl-4-phenylmethoxy-butoxy]methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[[(1S)-1-diethoxyphosphoryl-4-phenylmethoxy-butoxy]methyl]purin-2-amine Openeye Name: 9-[[(1S)-4-benzyloxy-1-diethoxyphosphoryl-butoxy]methyl]-6-chloro-purin-2-amine CAS Name: 6-chloro-9-[[(1S)-1-diethoxyphosphoryl-4-phenylmethoxybutoxy]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[(1S)-1-diethoxyphosphoryl-4-phenylmethoxybutoxy]methyl]purin-2-amine Traditional Name: [9-[[(1S)-4-benzoxy-1-diethoxyphosphoryl-butoxy]methyl]-6-chloro-purin-2-yl]amine Formula: C21H29ClN5O5P MolecularWeight: 497.912221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCCOCC1=CC=CC=C1)OCN2C=NC3=C2N=C(N=C3Cl)N)OCC

Isomeric SMILES

CCOP(=O)([C@@H](CCCOCC1=CC=CC=C1)OCN2C=NC3=C2N=C(N=C3Cl)N)OCC

InChI

InChI=1S/C21H29ClN5O5P/c1-3-31-33(28,32-4-2)17(11-8-12-29-13-16-9-6-5-7-10-16)30-15-27-14-24-18-19(22)25-21(23)26-20(18)27/h5-7,9-10,14,17H,3-4,8,11-13,15H2,1-2H3,(H2,23,25,26)/t17-/m0/s1