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

Systemtic Name: [2-(2-azanylpurin-9-yl)-4-(hydroxymethyl)cyclobutyl]methyl (4-methylphenyl) hydrogen phosphate Openeye Name: [2-(2-aminopurin-9-yl)-4-(hydroxymethyl)cyclobutyl]methyl p-tolyl hydrogen phosphate CAS Name: [2-(2-amino-9-purinyl)-4-(hydroxymethyl)cyclobutyl]methyl (4-methylphenyl) hydrogen phosphate IUPAC Name: [2-(2-aminopurin-9-yl)-4-(hydroxymethyl)cyclobutyl]methyl (4-methylphenyl) hydrogen phosphate Traditional Name: [2-(2-aminopurin-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=CN=C(N=C43)N)CO

Isomeric SMILES

CC1=CC=C(C=C1)OP(=O)(O)OCC2C(CC2N3C=NC4=CN=C(N=C43)N)CO

InChI

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