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Summary Geometry Related PDB entries

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Summary

Name:	3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
Formula:	C14 H13 N9
Formal charge:	0
Formula weight:	307.313 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
OpenEye OEToolkits	1.7.6	3-(4-azanyl-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1ccccn1c(c2Nc3ccnn3)c4nc(nc(n4)N)C
InChI	InChI	1.03	InChI=1S/C14H13N9/c1-8-17-12(21-14(15)18-8)11-13(19-9-5-6-16-22-9)20-10-4-2-3-7-23(10)11/h2-7H,1H3,(H2,16,19,22)(H2,15,17,18,21)
InChIKey	InChI	1.03	OEQWYIZFUDGMEW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	Cc1nc(N)nc(n1)c2n3ccccc3nc2Nc4[nH]ncc4
SMILES	CACTVS	3.370	Cc1nc(N)nc(n1)c2n3ccccc3nc2Nc4[nH]ncc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4
SMILES	OpenEye OEToolkits	1.7.6	Cc1nc(nc(n1)N)c2c(nc3n2cccc3)Nc4ccn[nH]4

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