1-(2-azanyl-6-phenylsulfanyl-purin-9-yl)propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-(2-azanyl-6-phenylsulfanyl-purin-9-yl)propan-2-yloxymethylphosphonic acid Openeye Name: [2-(2-amino-6-phenylsulfanyl-purin-9-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[2-amino-6-(phenylthio)-9-purinyl]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-(2-amino-6-phenylsulfanylpurin-9-yl)propan-2-yloxymethylphosphonic acid Traditional Name: [2-[2-amino-6-(phenylthio)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C15H18N5O4PS MolecularWeight: 395.373281

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=C(N=C2SC3=CC=CC=C3)N)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C1N=C(N=C2SC3=CC=CC=C3)N)OCP(=O)(O)O

InChI

InChI=1S/C15H18N5O4PS/c1-10(24-9-25(21,22)23)7-20-8-17-12-13(20)18-15(16)19-14(12)26-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H2,16,18,19)(H2,21,22,23)