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Summary

Name:	(8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C19 H16 Cl F N6 O
Formal charge:	0
Formula weight:	398.821 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(8R)-2-{[(2-chlorophenyl)methyl]amino}-5-[(2-fluoroanilino)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
OpenEye OEToolkits	2.0.7	2-[(2-chlorophenyl)methylamino]-5-[[(2-fluorophenyl)amino]methyl]-4~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccccc1NCC1=CC(=O)n2nc(nc2N1)NCc1ccccc1Cl
InChI	InChI	1.06	InChI=1S/C19H16ClFN6O/c20-14-6-2-1-5-12(14)10-23-18-25-19-24-13(9-17(28)27(19)26-18)11-22-16-8-4-3-7-15(16)21/h1-9,22H,10-11H2,(H2,23,24,25,26)
InChIKey	InChI	1.06	WBXJTDUOPQEFCN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccccc1NCC2=CC(=O)n3nc(NCc4ccccc4Cl)nc3N2
SMILES	CACTVS	3.385	Fc1ccccc1NCC2=CC(=O)n3nc(NCc4ccccc4Cl)nc3N2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CNc2nc3n(n2)C(=O)C=C(N3)CNc4ccccc4F)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)CNc2nc3n(n2)C(=O)C=C(N3)CNc4ccccc4F)Cl

223532

PDB entries from 2024-08-07

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