WMR

5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine

Created:	2015-03-08
Last modified:	2015-05-13

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1 entries where WMR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	10

2D diagram of WMR

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Chemical Component Summary
Name	5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine
Formula	C₁₅ H₂₂ N₄ S
Molecular Weight	290.427
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCc1nc2[nH]nc(N)c2c3CC(C)(C)SCc13
SMILES	OpenEye OEToolkits	1.7.6	CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C
Canonical SMILES	CACTVS	3.385	CCCCc1nc2[nH]nc(N)c2c3CC(C)(C)SCc13
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C
InChI	InChI	1.03	InChI=1S/C15H22N4S/c1-4-5-6-11-10-8-20-15(2,3)7-9(10)12-13(16)18-19-14(12)17-11/h4-8H2,1-3H3,(H3,16,17,18,19)
InChIKey	InChI	1.03	MPWCUTPIYOWTII-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1502265
PubChem	4519806
ChEMBL	CHEMBL1502265

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