X0U

6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE

Created:	2009-12-17
Last modified:	2011-06-04

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1 entries where X0U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	10

2D diagram of X0U

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Chemical Component Summary
Name	6,7-DIHYDRO[1,4]DIOXINO[2,3-F][1,3]BENZOTHIAZOL-2-AMINE
Systematic Name (OpenEye OEToolkits)	6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
Formula	C₉ H₈ N₂ O₂ S
Molecular Weight	208.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O2c3cc1sc(nc1cc3OCC2)N
SMILES	CACTVS	3.352	Nc1sc2cc3OCCOc3cc2n1
SMILES	OpenEye OEToolkits	1.6.1	c1c2c(cc3c1OCCO3)sc(n2)N
Canonical SMILES	CACTVS	3.352	Nc1sc2cc3OCCOc3cc2n1
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1c2c(cc3c1OCCO3)sc(n2)N
InChI	InChI	1.03	InChI=1S/C9H8N2O2S/c10-9-11-5-3-6-7(4-8(5)14-9)13-2-1-12-6/h3-4H,1-2H2,(H2,10,11)
InChIKey	InChI	1.03	IURPFIBKOPUBIT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	771615
ChEMBL	CHEMBL1236743

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