N-[9-[(E)-6-di(propan-2-yloxy)phosphoryl-3-oxidanyl-hex-5-enyl]purin-6-yl]benzamide

Systemtic Name: N-[9-[(E)-6-di(propan-2-yloxy)phosphoryl-3-oxidanyl-hex-5-enyl]purin-6-yl]benzamide Openeye Name: N-[9-[(E)-6-diisopropoxyphosphoryl-3-hydroxy-hex-5-enyl]purin-6-yl]benzamide CAS Name: N-[9-[(E)-6-di(propan-2-yloxy)phosphoryl-3-hydroxyhex-5-enyl]-6-purinyl]benzamide IUPAC Name: N-[9-[(E)-6-di(propan-2-yloxy)phosphoryl-3-hydroxyhex-5-enyl]purin-6-yl]benzamide Traditional Name: N-[9-[(E)-6-diisopropoxyphosphoryl-3-hydroxy-hex-5-enyl]purin-6-yl]benzamide Formula: C24H32N5O5P MolecularWeight: 501.515141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(C=CCC(CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)O)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(/C=C/CC(CCN1C=NC2=C1N=CN=C2NC(=O)C3=CC=CC=C3)O)OC(C)C

InChI

InChI=1S/C24H32N5O5P/c1-17(2)33-35(32,34-18(3)4)14-8-11-20(30)12-13-29-16-27-21-22(25-15-26-23(21)29)28-24(31)19-9-6-5-7-10-19/h5-10,14-18,20,30H,11-13H2,1-4H3,(H,25,26,28,31)/b14-8+