[3-(2-azanylpurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl (4-methoxyphenyl) hydrogen phosphate

Systemtic Name: [3-(2-azanylpurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl (4-methoxyphenyl) hydrogen phosphate Openeye Name: [3-(2-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl (4-methoxyphenyl) hydrogen phosphate CAS Name: [3-(2-amino-9-purinyl)-2-(hydroxymethyl)cyclobutyl]methyl (4-methoxyphenyl) hydrogen phosphate IUPAC Name: [3-(2-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl (4-methoxyphenyl) hydrogen phosphate Traditional Name: [3-(2-aminopurin-9-yl)-2-methylol-cyclobutyl]methyl (4-methoxyphenyl) hydrogen phosphate Formula: C18H22N5O6P MolecularWeight: 435.370941

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OP(=O)(O)OCC2CC(C2CO)N3C=NC4=CN=C(N=C43)N

Isomeric SMILES

COC1=CC=C(C=C1)OP(=O)(O)OCC2CC(C2CO)N3C=NC4=CN=C(N=C43)N

InChI

InChI=1S/C18H22N5O6P/c1-27-12-2-4-13(5-3-12)29-30(25,26)28-9-11-6-16(14(11)8-24)23-10-21-15-7-20-18(19)22-17(15)23/h2-5,7,10-11,14,16,24H,6,8-9H2,1H3,(H,25,26)(H2,19,20,22)