2-[[6-azanyl-9-(phenylmethyl)purin-8-yl]amino]ethylphosphonic acid

Systemtic Name: 2-[[6-azanyl-9-(phenylmethyl)purin-8-yl]amino]ethylphosphonic acid Openeye Name: 2-[(6-amino-9-benzyl-purin-8-yl)amino]ethylphosphonic acid CAS Name: 2-[[6-amino-9-(phenylmethyl)-8-purinyl]amino]ethylphosphonic acid IUPAC Name: 2-[(6-amino-9-benzylpurin-8-yl)amino]ethylphosphonic acid Traditional Name: 2-[(6-amino-9-benzyl-purin-8-yl)amino]ethylphosphonic acid Formula: C14H17N6O3P MolecularWeight: 348.296941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2NCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=NC=N3)N)N=C2NCCP(=O)(O)O

InChI

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