1-[2-azanyl-6-[(phenylmethyl)amino]purin-9-yl]propan-2-yloxymethylphosphonic acid

Systemtic Name: 1-[2-azanyl-6-[(phenylmethyl)amino]purin-9-yl]propan-2-yloxymethylphosphonic acid Openeye Name: [2-[2-amino-6-(benzylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid CAS Name: 1-[2-amino-6-[(phenylmethyl)amino]-9-purinyl]propan-2-yloxymethylphosphonic acid IUPAC Name: 1-[2-amino-6-(benzylamino)purin-9-yl]propan-2-yloxymethylphosphonic acid Traditional Name: [2-[2-amino-6-(benzylamino)purin-9-yl]-1-methyl-ethoxy]methylphosphonic acid Formula: C16H21N6O4P MolecularWeight: 392.349501

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)N)OCP(=O)(O)O

Isomeric SMILES

CC(CN1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)N)OCP(=O)(O)O

InChI

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