[3-(2-azanylpurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl octyl hydrogen phosphate

Systemtic Name: [3-(2-azanylpurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl octyl hydrogen phosphate Openeye Name: [3-(2-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl octyl hydrogen phosphate CAS Name: [3-(2-amino-9-purinyl)-2-(hydroxymethyl)cyclobutyl]methyl octyl hydrogen phosphate IUPAC Name: [3-(2-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl octyl hydrogen phosphate Traditional Name: [3-(2-aminopurin-9-yl)-2-methylol-cyclobutyl]methyl octyl hydrogen phosphate Formula: C19H32N5O5P MolecularWeight: 441.461641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=O)(O)OCC1CC(C1CO)N2C=NC3=CN=C(N=C32)N

Isomeric SMILES

CCCCCCCCOP(=O)(O)OCC1CC(C1CO)N2C=NC3=CN=C(N=C32)N

InChI

InChI=1S/C19H32N5O5P/c1-2-3-4-5-6-7-8-28-30(26,27)29-12-14-9-17(15(14)11-25)24-13-22-16-10-21-19(20)23-18(16)24/h10,13-15,17,25H,2-9,11-12H2,1H3,(H,26,27)(H2,20,21,23)