2-[2-azanyl-6-(prop-2-ynylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(prop-2-ynylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(prop-2-ynylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(prop-2-ynylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(prop-2-ynylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(propargylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C11H15N6O4P MolecularWeight: 326.248361

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

Isomeric SMILES

C#CCNC1=NC(=NC2=C1N=CN2CCOCP(=O)(O)O)N

InChI

InChI=1S/C11H15N6O4P/c1-2-3-13-9-8-10(16-11(12)15-9)17(6-14-8)4-5-21-7-22(18,19)20/h1,6H,3-5,7H2,(H2,18,19,20)(H3,12,13,15,16)