2-[2-azanyl-6-[methyl-(phenylmethyl)amino]purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-[methyl-(phenylmethyl)amino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-[benzyl(methyl)amino]purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[methyl-(phenylmethyl)amino]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-[benzyl(methyl)amino]purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[benzyl(methyl)amino]purin-9-yl]ethoxymethylphosphonic acid Formula: C16H21N6O4P MolecularWeight: 392.349501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C16H21N6O4P/c1-21(9-12-5-3-2-4-6-12)14-13-15(20-16(17)19-14)22(10-18-13)7-8-26-11-27(23,24)25/h2-6,10H,7-9,11H2,1H3,(H2,17,19,20)(H2,23,24,25)