[1-[6-(aminomethyl)-2-azanyl-purin-9-yl]-3-phenylmethoxy-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-[6-(aminomethyl)-2-azanyl-purin-9-yl]-3-phenylmethoxy-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(aminomethyl)purin-9-yl]methyl]-2-benzyloxy-ethoxy]methylphosphonic acid CAS Name: [1-[2-amino-6-(aminomethyl)-9-purinyl]-3-phenylmethoxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-[2-amino-6-(aminomethyl)purin-9-yl]-3-phenylmethoxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-(aminomethyl)purin-9-yl]methyl]-2-benzoxy-ethoxy]methylphosphonic acid Formula: C17H23N6O5P MolecularWeight: 422.375481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CN2C=NC3=C(N=C(N=C32)N)CN)OCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)COCC(CN2C=NC3=C(N=C(N=C32)N)CN)OCP(=O)(O)O

InChI

InChI=1S/C17H23N6O5P/c18-6-14-15-16(22-17(19)21-14)23(10-20-15)7-13(28-11-29(24,25)26)9-27-8-12-4-2-1-3-5-12/h1-5,10,13H,6-9,11,18H2,(H2,19,21,22)(H2,24,25,26)