U2C

(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide

Created:	2023-01-19
Last modified:	2024-01-31

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1 entries where U2C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	16

2D diagram of U2C

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Chemical Component Summary
Name	(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
Systematic Name (OpenEye OEToolkits)	(2~{R})-3-[6-chloranyl-2-(furan-2-ylmethylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide
Formula	C₁₇ H₁₇ Cl N₄ O₃
Molecular Weight	360.795
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](Cc1nc(NCc2occc2)nc3ccc(Cl)cc13)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	CC(Cc1c2cc(ccc2nc(n1)NCc3ccco3)Cl)C(=O)NO
Canonical SMILES	CACTVS	3.385	C[C@H](Cc1nc(NCc2occc2)nc3ccc(Cl)cc13)C(=O)NO
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](Cc1c2cc(ccc2nc(n1)NCc3ccco3)Cl)C(=O)NO
InChI	InChI	1.06	InChI=1S/C17H17ClN4O3/c1-10(16(23)22-24)7-15-13-8-11(18)4-5-14(13)20-17(21-15)19-9-12-3-2-6-25-12/h2-6,8,10,24H,7,9H2,1H3,(H,22,23)(H,19,20,21)/t10-/m1/s1
InChIKey	InChI	1.06	KUFSBQCOICNILM-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	170452562

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.