[1-[(2-azanyl-6-piperidin-1-yl-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid

Systemtic Name: [1-[(2-azanyl-6-piperidin-1-yl-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(1-piperidyl)purin-9-yl]methyl]cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-amino-6-(1-piperidinyl)-9-purinyl]methyl]cyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[(2-amino-6-piperidin-1-ylpurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[(2-amino-6-piperidino-purin-9-yl)methyl]cyclopropoxy]methylphosphonic acid Formula: C15H23N6O4P MolecularWeight: 382.354681

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC3=C2N=CN3CC4(CC4)OCP(=O)(O)O)N

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC3=C2N=CN3CC4(CC4)OCP(=O)(O)O)N

InChI

InChI=1S/C15H23N6O4P/c16-14-18-12(20-6-2-1-3-7-20)11-13(19-14)21(9-17-11)8-15(4-5-15)25-10-26(22,23)24/h9H,1-8,10H2,(H2,16,18,19)(H2,22,23,24)