6-chloranyl-7-[[(2S,3S)-1-diethoxyphosphoryl-3-phenylmethoxy-butan-2-yl]oxymethyl]purine

Systemtic Name: 6-chloranyl-7-[[(2S,3S)-1-diethoxyphosphoryl-3-phenylmethoxy-butan-2-yl]oxymethyl]purine Openeye Name: 7-[[(1S,2S)-2-benzyloxy-1-(diethoxyphosphorylmethyl)propoxy]methyl]-6-chloro-purine CAS Name: 6-chloro-7-[[(2S,3S)-1-diethoxyphosphoryl-3-phenylmethoxybutan-2-yl]oxymethyl]purine IUPAC Name: 6-chloro-7-[[(2S,3S)-1-diethoxyphosphoryl-3-phenylmethoxybutan-2-yl]oxymethyl]purine Traditional Name: 7-[[(1S,2S)-2-benzoxy-1-(diethoxyphosphorylmethyl)propoxy]methyl]-6-chloro-purine Formula: C21H28ClN4O5P MolecularWeight: 482.897581

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(C(C)OCC1=CC=CC=C1)OCN2C=NC3=C2C(=NC=N3)Cl)OCC

Isomeric SMILES

CCOP(=O)(C[C@H]([C@H](C)OCC1=CC=CC=C1)OCN2C=NC3=C2C(=NC=N3)Cl)OCC

InChI

InChI=1S/C21H28ClN4O5P/c1-4-30-32(27,31-5-2)12-18(16(3)28-11-17-9-7-6-8-10-17)29-15-26-14-25-21-19(26)20(22)23-13-24-21/h6-10,13-14,16,18H,4-5,11-12,15H2,1-3H3/t16-,18+/m0/s1