[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] 3-hexadecoxypropyl hydrogen phosphate

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] 3-hexadecoxypropyl hydrogen phosphate Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] 3-hexadecoxypropyl hydrogen phosphate CAS Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] 3-hexadecoxypropyl hydrogen phosphate IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl] 3-hexadecoxypropyl hydrogen phosphate Traditional Name: [4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-butyl] 3-cetyloxypropyl hydrogen phosphate Formula: C29H54N5O7P MolecularWeight: 615.742121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCOP(=O)(O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCOP(=O)(O)OCC(CCN1C=NC2=C1NC(=NC2=O)N)CO

InChI

InChI=1S/C29H54N5O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-39-20-16-21-40-42(37,38)41-23-25(22-35)17-18-34-24-31-26-27(34)32-29(30)33-28(26)36/h24-25,35H,2-23H2,1H3,(H,37,38)(H3,30,32,33,36)