M2T

5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine

Created:	2009-04-15
Last modified:	2011-06-04

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2 entries where M2T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	4
Bond Count	42
Aromatic Bond Count	10

2D diagram of M2T

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Chemical Component Summary
Name	5'-deoxy-5'-(dimethyl-lambda~4~-sulfanyl)adenosine
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₂ H₁₉ N₅ O₃ S
Molecular Weight	313.376
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CS(C)C)N
SMILES	CACTVS	3.341	C[SH](C)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.5.0	CS(C)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Canonical SMILES	CACTVS	3.341	C[SH](C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	CS(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
InChI	InChI	1.03	InChI=1S/C12H19N5O3S/c1-21(2)3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19,21H,3H2,1-2H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
InChIKey	InChI	1.03	QTJGMLRCRBTBIN-WOUKDFQISA-N

Related Resource References

Resource Name	Reference
PubChem	49867274

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