2-[6-[(4-aminophenyl)methylamino]-2-azanyl-purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[6-[(4-aminophenyl)methylamino]-2-azanyl-purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-[(4-aminophenyl)methylamino]purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[(4-aminophenyl)methylamino]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-[(4-aminophenyl)methylamino]purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-[(4-aminobenzyl)amino]purin-9-yl]ethoxymethylphosphonic acid Formula: C15H20N7O4P MolecularWeight: 393.337561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N)N

InChI

InChI=1S/C15H20N7O4P/c16-11-3-1-10(2-4-11)7-18-13-12-14(21-15(17)20-13)22(8-19-12)5-6-26-9-27(23,24)25/h1-4,8H,5-7,9,16H2,(H2,23,24,25)(H3,17,18,20,21)