2-[6-(1-methylpyrrol-2-yl)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-(1-methylpyrrol-2-yl)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(1-methylpyrrol-2-yl)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(1-methyl-2-pyrrolyl)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(1-methylpyrrol-2-yl)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(1-methylpyrrol-2-yl)purin-9-yl]ethoxymethylphosphonic acid Formula: C13H16N5O4P MolecularWeight: 337.271001

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=C3C(=NC=N2)N(C=N3)CCOCP(=O)(O)O

Isomeric SMILES

CN1C=CC=C1C2=C3C(=NC=N2)N(C=N3)CCOCP(=O)(O)O

InChI

InChI=1S/C13H16N5O4P/c1-17-4-2-3-10(17)11-12-13(15-7-14-11)18(8-16-12)5-6-22-9-23(19,20)21/h2-4,7-8H,5-6,9H2,1H3,(H2,19,20,21)