9-[(2S)-2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propyl]-6-phenylmethoxy-purin-2-amine

Systemtic Name: 9-[(2S)-2-(diethoxyphosphorylmethoxy)-3-phenylmethoxy-propyl]-6-phenylmethoxy-purin-2-amine Openeye Name: 6-benzyloxy-9-[(2S)-3-benzyloxy-2-(diethoxyphosphorylmethoxy)propyl]purin-2-amine CAS Name: 9-[(2S)-2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropyl]-6-phenylmethoxy-2-purinamine IUPAC Name: 9-[(2S)-2-(diethoxyphosphorylmethoxy)-3-phenylmethoxypropyl]-6-phenylmethoxypurin-2-amine Traditional Name: [6-benzoxy-9-[(2S)-3-benzoxy-2-(diethoxyphosphorylmethoxy)propyl]purin-2-yl]amine Formula: C27H34N5O6P MolecularWeight: 555.562521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(CN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N)COCC4=CC=CC=C4)OCC

Isomeric SMILES

CCOP(=O)(CO[C@@H](CN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N)COCC4=CC=CC=C4)OCC

InChI

InChI=1S/C27H34N5O6P/c1-3-37-39(33,38-4-2)20-36-23(18-34-16-21-11-7-5-8-12-21)15-32-19-29-24-25(32)30-27(28)31-26(24)35-17-22-13-9-6-10-14-22/h5-14,19,23H,3-4,15-18,20H2,1-2H3,(H2,28,30,31)/t23-/m0/s1