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RPP

Summary
Name:2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
Formula:C10 H14 I N5 O4
Formal charge:0
Formula weight:395.154 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3R)-3-iodo-1-beta-D-ribofuranosyl-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine
OpenEye OEToolkits1.5.0(2R,3R,4S,5R)-2-(4-amino-3-iodo-2,3-dihydropyrazolo[5,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04IC2c1c(ncnc1N(N2)C3OC(C(O)C3O)CO)N
SMILES_CANONICALCACTVS3.341Nc1ncnc2N(N[C@H](I)c12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
SMILESCACTVS3.341Nc1ncnc2N(N[CH](I)c12)[CH]3O[CH](CO)[CH](O)[CH]3O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc(c2c(n1)N(NC2I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
SMILESOpenEye OEToolkits1.5.0c1nc(c2c(n1)N(NC2I)C3C(C(C(O3)CO)O)O)N
InChIInChI1.03InChI=1S/C10H14IN5O4/c11-7-4-8(12)13-2-14-9(4)16(15-7)10-6(19)5(18)3(1-17)20-10/h2-3,5-7,10,15,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,7+,10-/m1/s1
InChIKeyInChI1.03IPMOTTQXPAXTMS-CKVFBBIQSA-N

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PDB entries from 2024-07-17

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