disodium (Z)-N-[9-[2-(phosphonatomethoxy)ethyl]-4,5-dihydropurin-6-yl]octadec-9-enamide

Systemtic Name: disodium (Z)-N-[9-[2-(phosphonatomethoxy)ethyl]-4,5-dihydropurin-6-yl]octadec-9-enamide Openeye Name: disodium (Z)-N-[9-[2-(phosphonatomethoxy)ethyl]-4,5-dihydropurin-6-yl]octadec-9-enamide CAS Name: disodium (Z)-N-[9-[2-(phosphonatomethoxy)ethyl]-4,5-dihydropurin-6-yl]-9-octadecenamide IUPAC Name: disodium (Z)-N-[9-[2-(phosphonatomethoxy)ethyl]-4,5-dihydropurin-6-yl]octadec-9-enamide Traditional Name: disodium (Z)-N-[9-[2-(phosphonatomethoxy)ethyl]-4,5-dihydropurin-6-yl]octadec-9-enamide Formula: C26H44N5Na2O5P MolecularWeight: 583.611361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=NC=NC2C1N=CN2CCOCP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NC1=NC=NC2C1N=CN2CCOCP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C26H46N5O5P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)30-25-24-26(28-20-27-25)31(21-29-24)18-19-36-22-37(33,34)35;;/h9-10,20-21,24,26H,2-8,11-19,22H2,1H3,(H2,33,34,35)(H,27,28,30,32);;/q;2*+1/p-2/b10-9-;;