M1E

~{N}-methylthieno[3,2-d]pyrimidin-4-amine

Created:	2019-10-02
Last modified:	2020-03-04

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1 entries where M1E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	10

2D diagram of M1E

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Chemical Component Summary
Name	~{N}-methylthieno[3,2-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	~{N}-methylthieno[3,2-d]pyrimidin-4-amine
Formula	C₇ H₇ N₃ S
Molecular Weight	165.216
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNc1ncnc2ccsc12
SMILES	OpenEye OEToolkits	2.0.7	CNc1c2c(ccs2)ncn1
Canonical SMILES	CACTVS	3.385	CNc1ncnc2ccsc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CNc1c2c(ccs2)ncn1
InChI	InChI	1.03	InChI=1S/C7H7N3S/c1-8-7-6-5(2-3-11-6)9-4-10-7/h2-4H,1H3,(H,8,9,10)
InChIKey	InChI	1.03	AZPMALJVBUIZFS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	23273491

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.