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

Systemtic Name: 2-azanyl-9-[[(3R,4S)-1-diethoxyphosphoryl-4-phenylmethoxy-pentan-3-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(1R,2S)-2-benzyloxy-1-(2-diethoxyphosphorylethyl)propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(3R,4S)-1-diethoxyphosphoryl-4-phenylmethoxypentan-3-yl]oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(3R,4S)-1-diethoxyphosphoryl-4-phenylmethoxypentan-3-yl]oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(1R,2S)-2-benzoxy-1-(2-diethoxyphosphorylethyl)propoxy]methyl]-3H-purin-6-one Formula: C22H32N5O6P MolecularWeight: 493.493141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(C(C)OCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N)OCC

Isomeric SMILES

CCOP(=O)(CC[C@H]([C@H](C)OCC1=CC=CC=C1)OCN2C=NC3=C2NC(=NC3=O)N)OCC

InChI

InChI=1S/C22H32N5O6P/c1-4-32-34(29,33-5-2)12-11-18(16(3)30-13-17-9-7-6-8-10-17)31-15-27-14-24-19-20(27)25-22(23)26-21(19)28/h6-10,14,16,18H,4-5,11-13,15H2,1-3H3,(H3,23,25,26,28)/t16-,18+/m0/s1