[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] dimethyl phosphate

Systemtic Name: [2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] dimethyl phosphate Openeye Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] dimethyl phosphate CAS Name: phosphoric acid [2-[[2-chloro-6-(methylamino)-9-purinyl]methyl]-3-phosphonooxypropyl] dimethyl ester IUPAC Name: [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxypropyl] dimethyl phosphate Traditional Name: phosphoric acid [2-[[2-chloro-6-(methylamino)purin-9-yl]methyl]-3-phosphonooxy-propyl] dimethyl ester Formula: C12H20ClN5O8P2 MolecularWeight: 459.716422

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CC(COP(=O)(O)O)COP(=O)(OC)OC)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CC(COP(=O)(O)O)COP(=O)(OC)OC)Cl

InChI

InChI=1S/C12H20ClN5O8P2/c1-14-10-9-11(17-12(13)16-10)18(7-15-9)4-8(5-25-27(19,20)21)6-26-28(22,23-2)24-3/h7-8H,4-6H2,1-3H3,(H,14,16,17)(H2,19,20,21)