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Summary Geometry Related PDB entries

P19

Summary

Name:	N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE
Formula:	C17 H14 N6
Formal charge:	0
Formula weight:	302.333 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N,N'-diphenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
OpenEye OEToolkits	1.5.0	N,N'-diphenylpyrazolo[5,1-f][1,3,5]triazine-2,4-diamine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1ccnn1c(nc2Nc3ccccc3)Nc4ccccc4
SMILES_CANONICAL	CACTVS	3.341	N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2
SMILES	CACTVS	3.341	N(c1ccccc1)c2nc(Nc3ccccc3)n4nccc4n2
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4
InChI	InChI	1.03	InChI=1S/C17H14N6/c1-3-7-13(8-4-1)19-16-21-15-11-12-18-23(15)17(22-16)20-14-9-5-2-6-10-14/h1-12H,(H2,19,20,21,22)
InChIKey	InChI	1.03	LLYYAUZAGCZEKV-UHFFFAOYSA-N

221716

건을2024-06-26부터공개중

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