[(2R)-1-(2-azanyl-6-phenylazanyl-7H-purin-9-ium-9-yl)propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [(2R)-1-(2-azanyl-6-phenylazanyl-7H-purin-9-ium-9-yl)propan-2-yl]oxymethylphosphonic acid Openeye Name: [(1R)-2-(2-amino-6-anilino-7H-purin-9-ium-9-yl)-1-methyl-ethoxy]methylphosphonic acid CAS Name: [(2R)-1-(2-amino-6-anilino-7H-purin-9-ium-9-yl)propan-2-yl]oxymethylphosphonic acid IUPAC Name: [(2R)-1-(2-amino-6-anilino-7H-purin-9-ium-9-yl)propan-2-yl]oxymethylphosphonic acid Traditional Name: [(1R)-2-(2-amino-6-anilino-7H-purin-9-ium-9-yl)-1-methyl-ethoxy]methylphosphonic acid Formula: C15H20N6O4P+ MolecularWeight: 379.330861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1=CNC2=C1N=C(N=C2NC3=CC=CC=C3)N)OCP(=O)(O)O

Isomeric SMILES

C[C@H](C[N+]1=CNC2=C1N=C(N=C2NC3=CC=CC=C3)N)OCP(=O)(O)O

InChI

InChI=1S/C15H19N6O4P/c1-10(25-9-26(22,23)24)7-21-8-17-12-13(19-15(16)20-14(12)21)18-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3,(H5,16,18,19,20,22,23,24)/p+1/t10-/m1/s1