9-[[(3R,4S)-1-diethoxyphosphoryl-4-phenylmethoxy-pentan-3-yl]oxymethyl]-6-phenylmethoxy-purin-2-amine

Systemtic Name: 9-[[(3R,4S)-1-diethoxyphosphoryl-4-phenylmethoxy-pentan-3-yl]oxymethyl]-6-phenylmethoxy-purin-2-amine Openeye Name: 6-benzyloxy-9-[[(1R,2S)-2-benzyloxy-1-(2-diethoxyphosphorylethyl)propoxy]methyl]purin-2-amine CAS Name: 9-[[(3R,4S)-1-diethoxyphosphoryl-4-phenylmethoxypentan-3-yl]oxymethyl]-6-phenylmethoxy-2-purinamine IUPAC Name: 9-[[(3R,4S)-1-diethoxyphosphoryl-4-phenylmethoxypentan-3-yl]oxymethyl]-6-phenylmethoxypurin-2-amine Traditional Name: [6-benzoxy-9-[[(1R,2S)-2-benzoxy-1-(2-diethoxyphosphorylethyl)propoxy]methyl]purin-2-yl]amine Formula: C29H38N5O6P MolecularWeight: 583.615681

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(C(C)OCC1=CC=CC=C1)OCN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)OCC

Isomeric SMILES

CCOP(=O)(CC[C@H]([C@H](C)OCC1=CC=CC=C1)OCN2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)OCC

InChI

InChI=1S/C29H38N5O6P/c1-4-39-41(35,40-5-2)17-16-25(22(3)36-18-23-12-8-6-9-13-23)38-21-34-20-31-26-27(34)32-29(30)33-28(26)37-19-24-14-10-7-11-15-24/h6-15,20,22,25H,4-5,16-19,21H2,1-3H3,(H2,30,32,33)/t22-,25+/m0/s1