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Summary Geometry Related PDB entries

6LV

Summary

Name:	5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
Formula:	C18 H17 N5 O2
Formal charge:	0
Formula weight:	335.36 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
OpenEye OEToolkits	1.7.6	5-[(3,5-dimethoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(n3nc(nc3c2c1cccc2)N)Cc4cc(OC)cc(OC)c4
InChI	InChI	1.03	InChI=1S/C18H17N5O2/c1-24-12-7-11(8-13(10-12)25-2)9-16-20-15-6-4-3-5-14(15)17-21-18(19)22-23(16)17/h3-8,10H,9H2,1-2H3,(H2,19,22)
InChIKey	InChI	1.03	OOUWYRBLMZEUGI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(Cc2nc3ccccc3c4nc(N)nn24)cc(OC)c1
SMILES	CACTVS	3.385	COc1cc(Cc2nc3ccccc3c4nc(N)nn24)cc(OC)c1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N
SMILES	OpenEye OEToolkits	1.7.6	COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N

219140

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