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Summary Geometry Related PDB entries

546

Summary

Name:	2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
Formula:	C18 H17 N5 O
Formal charge:	0
Formula weight:	319.36 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c1c(nc(OC)cc1)n4c(c2C)c(nc4c3c(ccnc3)C)C
InChI	InChI	1.03	InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
InChIKey	InChI	1.03	VAYNYSLGOOSRMO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C
SMILES	CACTVS	3.370	COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C
SMILES	OpenEye OEToolkits	1.7.2	Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C

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數據於2024-07-17公開中

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