2-[6-[[(Z)-octadec-9-enoyl]amino]-4,5-dihydropurin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-[[(Z)-octadec-9-enoyl]amino]-4,5-dihydropurin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-[[(Z)-octadec-9-enoyl]amino]-4,5-dihydropurin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-[[(Z)-1-oxooctadec-9-enyl]amino]-4,5-dihydropurin-9-yl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-[[(Z)-octadec-9-enoyl]amino]-4,5-dihydropurin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-[[(Z)-octadec-9-enoyl]amino]-4,5-dihydropurin-9-yl]ethoxymethylphosphonic acid Formula: C26H46N5O5P MolecularWeight: 539.647701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=NC=NC2C1N=CN2CCOCP(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NC1=NC=NC2C1N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C26H46N5O5P/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)/b10-9-