[2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclobutyl]methyl (4-methylphenyl) hydrogen phosphate

Systemtic Name: [2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclobutyl]methyl (4-methylphenyl) hydrogen phosphate Openeye Name: [2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclobutyl]methyl p-tolyl hydrogen phosphate CAS Name: [2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclobutyl]methyl (4-methylphenyl) hydrogen phosphate IUPAC Name: [2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclobutyl]methyl (4-methylphenyl) hydrogen phosphate Traditional Name: (2-adenin-9-yl-4-methylol-cyclobutyl)methyl p-tolyl hydrogen phosphate Formula: C18H22N5O5P MolecularWeight: 419.371541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(=O)(O)OCC2C(CC2N3C=NC4=C3N=CN=C4N)CO

Isomeric SMILES

CC1=CC=C(C=C1)OP(=O)(O)OCC2C(CC2N3C=NC4=C3N=CN=C4N)CO

InChI

InChI=1S/C18H22N5O5P/c1-11-2-4-13(5-3-11)28-29(25,26)27-8-14-12(7-24)6-15(14)23-10-22-16-17(19)20-9-21-18(16)23/h2-5,9-10,12,14-15,24H,6-8H2,1H3,(H,25,26)(H2,19,20,21)