9C0

9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

Created:	2018-03-09
Last modified:	2019-01-16

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2 entries where 9C0 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	6

2D diagram of 9C0

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Chemical Component Summary
Name	9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
Systematic Name (OpenEye OEToolkits)	9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
Formula	C₁₇ H₂₀ N₂ O₂ S
Molecular Weight	316.418
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
SMILES	OpenEye OEToolkits	2.0.6	CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3
Canonical SMILES	CACTVS	3.385	CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3
InChI	InChI	1.03	InChI=1S/C17H20N2O2S/c1-17(2,3)14-8-6-13(7-9-14)15-5-4-10-19-11-12-22(20,21)18-16(15)19/h4-10H,11-12H2,1-3H3
InChIKey	InChI	1.03	NFUZLMGYOAJDAK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66748417

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.