23D

N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE

Created:	2005-12-01
Last modified:	2011-06-04

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4 entries where 23D is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	2
Bond Count	54
Aromatic Bond Count	16

2D diagram of 23D

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Chemical Component Summary
Name	N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE
Systematic Name (OpenEye OEToolkits)	N-[(1R,2R)-2-aminocyclohexyl]-N'-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
Formula	C₁₉ H₂₄ Cl N₇
Molecular Weight	385.894
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cccc(c1)Nc3nc(nc2c3ncn2CC)NC4CCCCC4N
SMILES	CACTVS	3.341	CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[CH]4CCCC[CH]4N)nc12
SMILES	OpenEye OEToolkits	1.5.0	CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)NC4CCCCC4N
Canonical SMILES	CACTVS	3.341	CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]4CCCC[C@H]4N)nc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N
InChI	InChI	1.03	InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-13-7-5-6-12(20)10-13)25-19(26-18(16)27)24-15-9-4-3-8-14(15)21/h5-7,10-11,14-15H,2-4,8-9,21H2,1H3,(H2,23,24,25,26)/t14-,15-/m1/s1
InChIKey	InChI	1.03	UTBSBSOBZHXMHI-HUUCEWRRSA-N

Related Resource References

Resource Name	Reference
PubChem	5327151
ChEMBL	CHEMBL1532768

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