[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphono-propyl]phosphonic acid

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphono-propyl]phosphonic acid Openeye Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphono-propyl]phosphonic acid CAS Name: [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-phosphonopropyl]phosphonic acid IUPAC Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonopropyl]phosphonic acid Traditional Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphono-propyl]phosphonic acid Formula: C10H16ClN5O6P2 MolecularWeight: 399.664462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16ClN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)