9BV

tetrazolo[5,1-b]quinazolin-9-ol

Created:	2017-04-17
Last modified:	2017-09-27

Find Related PDB Entry
1 entries where 9BV is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	15

2D diagram of 9BV

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	tetrazolo[5,1-b]quinazolin-9-ol
Systematic Name (OpenEye OEToolkits)	[1,2,3,4]tetrazolo[5,1-b]quinazolin-9-ol
Formula	C₈ H₅ N₅ O
Molecular Weight	187.158
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c21nc3nnnn3c(c1cccc2)O
SMILES	CACTVS	3.385	Oc1n2nnnc2nc3ccccc13
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(n3c(n2)nnn3)O
Canonical SMILES	CACTVS	3.385	Oc1n2nnnc2nc3ccccc13
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)c(n3c(n2)nnn3)O
InChI	InChI	1.03	InChI=1S/C8H5N5O/c14-7-5-3-1-2-4-6(5)9-8-10-11-12-13(7)8/h1-4,14H
InChIKey	InChI	1.03	MBODJNHSMUWROS-UHFFFAOYSA-N

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.