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

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)amino]ethyl-phenylmethoxy-phosphinic acid Openeye Name: 2-[(6-amino-7H-purin-8-yl)amino]ethyl-benzyloxy-phosphinic acid CAS Name: 2-[(6-amino-7H-purin-8-yl)amino]ethyl-phenylmethoxyphosphinic acid IUPAC Name: 2-[(6-amino-7H-purin-8-yl)amino]ethyl-phenylmethoxyphosphinic acid Traditional Name: 2-[(6-amino-7H-purin-8-yl)amino]ethyl-benzoxy-phosphinic acid Formula: C14H17N6O3P MolecularWeight: 348.296941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COP(=O)(CCNC2=NC3=C(N2)C(=NC=N3)N)O

Isomeric SMILES

C1=CC=C(C=C1)COP(=O)(CCNC2=NC3=C(N2)C(=NC=N3)N)O

InChI

InChI=1S/C14H17N6O3P/c15-12-11-13(18-9-17-12)20-14(19-11)16-6-7-24(21,22)23-8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,21,22)(H4,15,16,17,18,19,20)