WDM

1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one

Created:	2020-10-16
Last modified:	2021-03-10

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1 entries where WDM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	5

2D diagram of WDM

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Chemical Component Summary
Name	1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one
Systematic Name (OpenEye OEToolkits)	1,3-dimethyl-8-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-6-sulfanylidene-7~{H}-purin-2-one
Formula	C₁₃ H₁₇ N₅ O₃ S₂
Molecular Weight	355.436
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(CSc2nc1N(C(=O)N(C)C(c1n2)=S)C)(N3CCOCC3)=O
SMILES	CACTVS	3.385	CN1C(=O)N(C)c2nc([nH]c2C1=S)SCC(=O)N3CCOCC3
SMILES	OpenEye OEToolkits	2.0.7	CN1c2c([nH]c(n2)SCC(=O)N3CCOCC3)C(=S)N(C1=O)C
Canonical SMILES	CACTVS	3.385	CN1C(=O)N(C)c2nc([nH]c2C1=S)SCC(=O)N3CCOCC3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1c2c([nH]c(n2)SCC(=O)N3CCOCC3)C(=S)N(C1=O)C
InChI	InChI	1.03	InChI=1S/C13H17N5O3S2/c1-16-10-9(11(22)17(2)13(16)20)14-12(15-10)23-7-8(19)18-3-5-21-6-4-18/h3-7H2,1-2H3,(H,14,15)
InChIKey	InChI	1.03	KRPVEFPMIUNCJW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155804230

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