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Summary Geometry Related PDB entries

N74

Summary

Name:	N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea
Formula:	C15 H15 N5 O2
Formal charge:	0
Formula weight:	297.312 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea
OpenEye OEToolkits	2.0.6	1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]urea

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N(c2cnn(Cc1ccccc1)c2)C(Nc3cc(C)on3)=O
InChI	InChI	1.03	InChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21)
InChIKey	InChI	1.03	HPOHLKVNAQMNHB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1onc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1
SMILES	CACTVS	3.385	Cc1onc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3

222624

數據於2024-07-17公開中

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