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Summary

Name:	(8S)-5-cyclopropyl-7-methyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
Formula:	C21 H22 N6
Formal charge:	0
Formula weight:	358.44 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(8S)-5-cyclopropyl-7-methyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl][1,2,4]triazolo[1,5-a]pyrimidine
OpenEye OEToolkits	2.0.7	5-cyclopropyl-7-methyl-2-[2-(1-methyl-4-phenyl-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cn1cc(nc1CCc1nc2nc(cc(C)n2n1)C1CC1)c1ccccc1
InChI	InChI	1.03	InChI=1S/C21H22N6/c1-14-12-17(16-8-9-16)23-21-24-19(25-27(14)21)10-11-20-22-18(13-26(20)2)15-6-4-3-5-7-15/h3-7,12-13,16H,8-11H2,1-2H3
InChIKey	InChI	1.03	RFRONYIRVUVCOB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(nc1CCc2nn3c(C)cc(nc3n2)C4CC4)c5ccccc5
SMILES	CACTVS	3.385	Cn1cc(nc1CCc2nn3c(C)cc(nc3n2)C4CC4)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(nc2n1nc(n2)CCc3nc(cn3C)c4ccccc4)C5CC5
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc2n1nc(n2)CCc3nc(cn3C)c4ccccc4)C5CC5

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