ZXC

N-(9H-purin-6-yl)thiophene-2-carboxamide

Created:	2015-09-07
Last modified:	2016-04-13

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1 entries where ZXC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	26
Aromatic Bond Count	15

2D diagram of ZXC

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Chemical Component Summary
Name	N-(9H-purin-6-yl)thiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)	N-(9H-purin-6-yl)thiophene-2-carboxamide
Formula	C₁₀ H₇ N₅ O S
Molecular Weight	245.26
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(Nc1ncnc2[nH]cnc12)c3sccc3
SMILES	OpenEye OEToolkits	1.7.6	c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2
Canonical SMILES	CACTVS	3.385	O=C(Nc1ncnc2[nH]cnc12)c3sccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2
InChI	InChI	1.03	InChI=1S/C10H7N5OS/c16-10(6-2-1-3-17-6)15-9-7-8(12-4-11-7)13-5-14-9/h1-5H,(H2,11,12,13,14,15,16)
InChIKey	InChI	1.03	AARNVVCHOMHOPP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	182483

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.