RPP

2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE

Created:	1999-12-01
Last modified:	2011-06-04

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1 entries where RPP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	5
Bond Count	36
Aromatic Bond Count	6

2D diagram of RPP

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Chemical Component Summary
Name	2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
Systematic Name (OpenEye OEToolkits)	(2R,3R,4S,5R)-2-(4-amino-3-iodo-2,3-dihydropyrazolo[5,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula	C₁₀ H₁₄ I N₅ O₄
Molecular Weight	395.154
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	IC2c1c(ncnc1N(N2)C3OC(C(O)C3O)CO)N
SMILES	CACTVS	3.341	Nc1ncnc2N(N[CH](I)c12)[CH]3O[CH](CO)[CH](O)[CH]3O
SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)N(NC2I)C3C(C(C(O3)CO)O)O)N
Canonical SMILES	CACTVS	3.341	Nc1ncnc2N(N[C@H](I)c12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1nc(c2c(n1)N(NC2I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	IPMOTTQXPAXTMS-CKVFBBIQSA-N

Drug Info: DrugBank

DrugBank ID	DB02416
Name	2-Ribofuranosyl-3-Iodo-2,3-Dihydro-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
Groups	experimental
Synonyms	2-Ribofuranosyl-3-Iodo-2,3-Dihydro-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine

Related Resource References

Resource Name	Reference
PubChem	17754151
ChEBI	CHEBI:45448

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