2-[6-(propan-2-ylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-(propan-2-ylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[6-(isopropylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[6-(propan-2-ylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[6-(propan-2-ylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[6-(isopropylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C11H18N5O4P MolecularWeight: 315.265481

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

Isomeric SMILES

CC(C)NC1=NC=NC2=C1N=CN2CCOCP(=O)(O)O

InChI

InChI=1S/C11H18N5O4P/c1-8(2)15-10-9-11(13-5-12-10)16(6-14-9)3-4-20-7-21(17,18)19/h5-6,8H,3-4,7H2,1-2H3,(H,12,13,15)(H2,17,18,19)