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Summary Geometry Related PDB entries

0T6

Summary

Name:	1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
Formula:	C18 H15 Cl N4 O2
Formal charge:	0
Formula weight:	354.79 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-(2-chlorophenyl)-6,8-dimethoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
OpenEye OEToolkits	1.7.6	1-(2-chlorophenyl)-6,8-dimethoxy-3-methyl-imidazo[5,1-c][1,2,4]benzotriazine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc4ccccc4c3nc(c2nnc1c(OC)cc(OC)cc1n23)C
InChI	InChI	1.03	InChI=1S/C18H15ClN4O2/c1-10-17-22-21-16-14(8-11(24-2)9-15(16)25-3)23(17)18(20-10)12-6-4-5-7-13(12)19/h4-9H,1-3H3
InChIKey	InChI	1.03	ZXGQTWGCVTUQHJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1cc(OC)c2nnc3n(c2c1)c(nc3C)c4ccccc4Cl
SMILES	CACTVS	3.370	COc1cc(OC)c2nnc3n(c2c1)c(nc3C)c4ccccc4Cl
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC
SMILES	OpenEye OEToolkits	1.7.6	Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC

218853

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