HWQ

3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile

Created:	2019-01-02
Last modified:	2020-05-06

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1 entries where HWQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	10

2D diagram of HWQ

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Chemical Component Summary
Name	3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
Systematic Name (OpenEye OEToolkits)	3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile
Formula	C₁₆ H₂₂ N₆ S
Molecular Weight	330.451
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(CCC#N)c1nc(nc2ccsc12)N(C)C3CCNCC3
SMILES	OpenEye OEToolkits	2.0.6	CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3
Canonical SMILES	CACTVS	3.385	CN(CCC#N)c1nc(nc2ccsc12)N(C)C3CCNCC3
Canonical SMILES	OpenEye OEToolkits	2.0.6	CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3
InChI	InChI	1.03	InChI=1S/C16H22N6S/c1-21(10-3-7-17)15-14-13(6-11-23-14)19-16(20-15)22(2)12-4-8-18-9-5-12/h6,11-12,18H,3-5,8-10H2,1-2H3
InChIKey	InChI	1.03	ZZVMFUZVPCVUGH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146027021

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