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

Systemtic Name: 2-[2-azanyl-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Openeye Name: 2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid CAS Name: 2-[2-amino-6-(cyclopropylamino)-9-purinyl]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid IUPAC Name: 2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-(3-hexadecoxypropoxy)phosphinic acid Traditional Name: 2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-(3-cetyloxypropoxy)phosphinic acid Formula: C30H55N6O5P MolecularWeight: 610.768661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=NC2=C1N=C(N=C2NC3CC3)N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(COCCN1C=NC2=C1N=C(N=C2NC3CC3)N)O

InChI

InChI=1S/C30H55N6O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-39-21-16-22-41-42(37,38)25-40-23-19-36-24-32-27-28(33-26-17-18-26)34-30(31)35-29(27)36/h24,26H,2-23,25H2,1H3,(H,37,38)(H3,31,33,34,35)