9PP

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Summary

Name:2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE
Formula:C9 H13 N6 O4 P
Formal charge:-2
Molecular weight:300.211 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04{[(1S)-2-(2,6-diamino-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonate
OpenEye OEToolkits1.5.09-[(2S)-2-(phosphonatomethoxy)propyl]purine-2,6-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]P([O-])(=O)COC(C)Cn1c2nc(nc(c2nc1)N)N
SMILES_CANONICALCACTVS3.341C[C@@H](Cn1cnc2c(N)nc(N)nc12)OC[P]([O-])([O-])=O
SMILESCACTVS3.341C[CH](Cn1cnc2c(N)nc(N)nc12)OC[P]([O-])([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-]
SMILESOpenEye OEToolkits1.5.0CC(Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-]
InChIInChI1.03InChI=1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H4,10,11,13,14)/p-2/t5-/m0/s1
InChIKeyInChI1.03LWEKFDHXJHJYGB-YFKPBYRVSA-L