2-[2,6-bis(azanyl)purin-9-yl]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid

Systemtic Name: 2-[2,6-bis(azanyl)purin-9-yl]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Openeye Name: 2-(2,6-diaminopurin-9-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid CAS Name: 2-(2,6-diamino-9-purinyl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid IUPAC Name: 2-(2,6-diaminopurin-9-yl)ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Traditional Name: 3-cetyloxypropoxy-[2-(2,6-diaminopurin-9-yl)ethoxymethyl]phosphinic acid Formula: C27H51N6O5P MolecularWeight: 570.704801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=NC2=C1N=C(N=C2N)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=NC2=C1N=C(N=C2N)N)O

InChI

InChI=1S/C27H51N6O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36-19-16-20-38-39(34,35)23-37-21-17-33-22-30-24-25(28)31-27(29)32-26(24)33/h22H,2-21,23H2,1H3,(H,34,35)(H4,28,29,31,32)