HWN

3-[[6-tert-butyl-2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile

Created:	2019-01-02
Last modified:	2023-09-06

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1 entries where HWN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	1
Bond Count	59
Aromatic Bond Count	10

2D diagram of HWN

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Chemical Component Summary
Name	3-[[6-tert-butyl-2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
Systematic Name (OpenEye OEToolkits)	3-[[6-~{tert}-butyl-2-[methyl-[(3~{S})-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile
Formula	C₂₀ H₃₀ N₆ S
Molecular Weight	386.557
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CC[CH](C1)N(C)c2nc3cc(sc3c(n2)N(C)CCC#N)C(C)(C)C
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)C3CCN(C3)C)N(C)CCC#N
Canonical SMILES	CACTVS	3.385	CN1CC[C@@H](C1)N(C)c2nc3cc(sc3c(n2)N(C)CCC#N)C(C)(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)[C@H]3CCN(C3)C)N(C)CCC#N
InChI	InChI	1.06	InChI=1S/C20H30N6S/c1-20(2,3)16-12-15-17(27-16)18(25(5)10-7-9-21)23-19(22-15)26(6)14-8-11-24(4)13-14/h12,14H,7-8,10-11,13H2,1-6H3/t14-/m0/s1
InChIKey	InChI	1.06	IIIBKWKCKFKYOT-AWEZNQCLSA-N

Related Resource References

Resource Name	Reference
PubChem	146027025

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