2-[2-azanyl-6-[4-(2-methylpropoxy)phenyl]sulfanyl-purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-[4-(2-methylpropoxy)phenyl]sulfanyl-purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(4-isobutoxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[[4-(2-methylpropoxy)phenyl]thio]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-[4-(2-methylpropoxy)phenyl]sulfanylpurin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[(4-isobutoxyphenyl)thio]purin-9-yl]ethoxymethylphosphonic acid Formula: C18H24N5O5PS MolecularWeight: 453.452421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C18H24N5O5PS/c1-12(2)9-28-13-3-5-14(6-4-13)30-17-15-16(21-18(19)22-17)23(10-20-15)7-8-27-11-29(24,25)26/h3-6,10,12H,7-9,11H2,1-2H3,(H2,19,21,22)(H2,24,25,26)