2-(2-azanyl-6-phenylsulfanyl-purin-9-yl)ethoxymethylphosphonic acid

Systemtic Name: 2-(2-azanyl-6-phenylsulfanyl-purin-9-yl)ethoxymethylphosphonic acid Openeye Name: 2-(2-amino-6-phenylsulfanyl-purin-9-yl)ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(phenylthio)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-(2-amino-6-phenylsulfanylpurin-9-yl)ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(phenylthio)purin-9-yl]ethoxymethylphosphonic acid Formula: C14H16N5O4PS MolecularWeight: 381.346701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N5O4PS/c15-14-17-12-11(13(18-14)25-10-4-2-1-3-5-10)16-8-19(12)6-7-23-9-24(20,21)22/h1-5,8H,6-7,9H2,(H2,15,17,18)(H2,20,21,22)