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

Systemtic Name: 2-[2-azanyl-6-[(diphenylmethyl)amino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(benzhydrylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[(diphenylmethyl)amino]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(benzhydrylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(benzhydrylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C21H23N6O4P MolecularWeight: 454.418881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC(=NC4=C3N=CN4CCOCP(=O)(O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC(=NC4=C3N=CN4CCOCP(=O)(O)O)N

InChI

InChI=1S/C21H23N6O4P/c22-21-25-19(18-20(26-21)27(13-23-18)11-12-31-14-32(28,29)30)24-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13,17H,11-12,14H2,(H2,28,29,30)(H3,22,24,25,26)