J3H

1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one

Created:	2019-01-17
Last modified:	2024-09-27

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1 entries where J3H is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	10

2D diagram of J3H

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Chemical Component Summary
Name	1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
Systematic Name (OpenEye OEToolkits)	1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one
Formula	C₁₃ H₁₈ N₆ O
Molecular Weight	274.322
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)N1CCC[CH](C1)n2ncc3c(N)ncnc23
SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)N1CCCC(C1)n2c3c(cn2)c(ncn3)N
Canonical SMILES	CACTVS	3.385	CCC(=O)N1CCC[C@H](C1)n2ncc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)N1CCC[C@H](C1)n2c3c(cn2)c(ncn3)N
InChI	InChI	1.03	InChI=1S/C13H18N6O/c1-2-11(20)18-5-3-4-9(7-18)19-13-10(6-17-19)12(14)15-8-16-13/h6,8-9H,2-5,7H2,1H3,(H2,14,15,16)/t9-/m1/s1
InChIKey	InChI	1.03	VODQVZMDWITJDU-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	138753271

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