2-[2-azanyl-6-(naphthalen-1-ylamino)purin-9-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2-azanyl-6-(naphthalen-1-ylamino)purin-9-yl]ethoxymethylphosphonic acid Openeye Name: 2-[2-amino-6-(1-naphthylamino)purin-9-yl]ethoxymethylphosphonic acid CAS Name: 2-[2-amino-6-(1-naphthalenylamino)-9-purinyl]ethoxymethylphosphonic acid IUPAC Name: 2-[2-amino-6-(naphthalen-1-ylamino)purin-9-yl]ethoxymethylphosphonic acid Traditional Name: 2-[2-amino-6-(1-naphthylamino)purin-9-yl]ethoxymethylphosphonic acid Formula: C18H19N6O4P MolecularWeight: 414.355021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=NC(=NC4=C3N=CN4CCOCP(=O)(O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=NC(=NC4=C3N=CN4CCOCP(=O)(O)O)N

InChI

InChI=1S/C18H19N6O4P/c19-18-22-16(21-14-7-3-5-12-4-1-2-6-13(12)14)15-17(23-18)24(10-20-15)8-9-28-11-29(25,26)27/h1-7,10H,8-9,11H2,(H2,25,26,27)(H3,19,21,22,23)