[1-[[2-azanyl-6-(4-methylpiperazin-1-yl)purin-9-yl]methyl]cyclopropyl]oxymethylphosphonic acid

Systemtic Name: [1-[[2-azanyl-6-(4-methylpiperazin-1-yl)purin-9-yl]methyl]cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]methyl]cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-amino-6-(4-methyl-1-piperazinyl)-9-purinyl]methyl]cyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]methyl]cyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-(4-methylpiperazino)purin-9-yl]methyl]cyclopropoxy]methylphosphonic acid Formula: C15H24N7O4P MolecularWeight: 397.369321

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC3=C2N=CN3CC4(CC4)OCP(=O)(O)O)N

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC3=C2N=CN3CC4(CC4)OCP(=O)(O)O)N

InChI

InChI=1S/C15H24N7O4P/c1-20-4-6-21(7-5-20)12-11-13(19-14(16)18-12)22(9-17-11)8-15(2-3-15)26-10-27(23,24)25/h9H,2-8,10H2,1H3,(H2,16,18,19)(H2,23,24,25)