6-chloranyl-9-[(1R)-1-(3-diethoxyphosphorylpropoxy)-2-phenylmethoxy-ethyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[(1R)-1-(3-diethoxyphosphorylpropoxy)-2-phenylmethoxy-ethyl]purin-2-amine Openeye Name: 9-[(1R)-2-benzyloxy-1-(3-diethoxyphosphorylpropoxy)ethyl]-6-chloro-purin-2-amine CAS Name: 6-chloro-9-[(1R)-1-(3-diethoxyphosphorylpropoxy)-2-phenylmethoxyethyl]-2-purinamine IUPAC Name: 6-chloro-9-[(1R)-1-(3-diethoxyphosphorylpropoxy)-2-phenylmethoxyethyl]purin-2-amine Traditional Name: [9-[(1R)-2-benzoxy-1-(3-diethoxyphosphorylpropoxy)ethyl]-6-chloro-purin-2-yl]amine Formula: C21H29ClN5O5P MolecularWeight: 497.912221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCCOC(COCC1=CC=CC=C1)N2C=NC3=C2N=C(N=C3Cl)N)OCC

Isomeric SMILES

CCOP(=O)(CCCO[C@H](COCC1=CC=CC=C1)N2C=NC3=C2N=C(N=C3Cl)N)OCC

InChI

InChI=1S/C21H29ClN5O5P/c1-3-31-33(28,32-4-2)12-8-11-30-17(14-29-13-16-9-6-5-7-10-16)27-15-24-18-19(22)25-21(23)26-20(18)27/h5-7,9-10,15,17H,3-4,8,11-14H2,1-2H3,(H2,23,25,26)/t17-/m1/s1