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

Systemtic Name: 2-[2-azanyl-6-[(phenylmethyl)amino]purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(benzylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-[(phenylmethyl)amino]-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(benzylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(benzylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C15H19N6O4P MolecularWeight: 378.322921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CCOCP(=O)(O)O)N

InChI

InChI=1S/C15H19N6O4P/c16-15-19-13(17-8-11-4-2-1-3-5-11)12-14(20-15)21(9-18-12)6-7-25-10-26(22,23)24/h1-5,9H,6-8,10H2,(H2,22,23,24)(H3,16,17,19,20)