[4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-7-phosphono-heptyl]phosphonic acid

Systemtic Name: [4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-7-phosphono-heptyl]phosphonic acid Openeye Name: [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-7-phosphono-heptyl]phosphonic acid CAS Name: [4-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-7-phosphonoheptyl]phosphonic acid IUPAC Name: [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-7-phosphonoheptyl]phosphonic acid Traditional Name: [4-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-7-phosphono-heptyl]phosphonic acid Formula: C14H24ClN5O6P2 MolecularWeight: 455.770782

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CC(CCCP(=O)(O)O)CCCP(=O)(O)O)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CC(CCCP(=O)(O)O)CCCP(=O)(O)O)Cl

InChI

InChI=1S/C14H24ClN5O6P2/c1-16-12-11-13(19-14(15)18-12)20(9-17-11)8-10(4-2-6-27(21,22)23)5-3-7-28(24,25)26/h9-10H,2-8H2,1H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)