2-[(6-azanyl-7H-purin-8-yl)amino]ethyl-(naphthalen-2-ylmethoxy)phosphinic acid

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)amino]ethyl-(naphthalen-2-ylmethoxy)phosphinic acid Openeye Name: 2-[(6-amino-7H-purin-8-yl)amino]ethyl-(2-naphthylmethoxy)phosphinic acid CAS Name: 2-[(6-amino-7H-purin-8-yl)amino]ethyl-(2-naphthalenylmethoxy)phosphinic acid IUPAC Name: 2-[(6-amino-7H-purin-8-yl)amino]ethyl-(naphthalen-2-ylmethoxy)phosphinic acid Traditional Name: 2-[(6-amino-7H-purin-8-yl)amino]ethyl-(2-naphthylmethoxy)phosphinic acid Formula: C18H19N6O3P MolecularWeight: 398.355621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)COP(=O)(CCNC3=NC4=C(N3)C(=NC=N4)N)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)COP(=O)(CCNC3=NC4=C(N3)C(=NC=N4)N)O

InChI

InChI=1S/C18H19N6O3P/c19-16-15-17(22-11-21-16)24-18(23-15)20-7-8-28(25,26)27-10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11H,7-8,10H2,(H,25,26)(H4,19,20,21,22,23,24)