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

Systemtic Name: 2-[2-azanyl-6-(4-ethoxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(4-ethoxyphenyl)sulfanyl-purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[(4-ethoxyphenyl)thio]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(4-ethoxyphenyl)sulfanylpurin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(p-phenetylthio)purin-9-yl]ethoxymethylphosphonic acid Formula: C16H20N5O5PS MolecularWeight: 425.399261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C16H20N5O5PS/c1-2-26-11-3-5-12(6-4-11)28-15-13-14(19-16(17)20-15)21(9-18-13)7-8-25-10-27(22,23)24/h3-6,9H,2,7-8,10H2,1H3,(H2,17,19,20)(H2,22,23,24)