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Summary

Name:	ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
Formula:	C16 H12 F3 N3 O3
Formal charge:	0
Formula weight:	351.28 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
OpenEye OEToolkits	2.0.7	ethyl 7-oxidanylidene-5-[4-(trifluoromethyl)phenyl]-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)c1ccc(cc1)C1=CC(=O)n2ncc(c2N1)C(=O)OCC
InChI	InChI	1.03	InChI=1S/C16H12F3N3O3/c1-2-25-15(24)11-8-20-22-13(23)7-12(21-14(11)22)9-3-5-10(6-4-9)16(17,18)19/h3-8,21H,2H2,1H3
InChIKey	InChI	1.03	TWBQZWQWRZJYPA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOC(=O)c1cnn2C(=O)C=C(Nc12)c3ccc(cc3)C(F)(F)F
SMILES	CACTVS	3.385	CCOC(=O)c1cnn2C(=O)C=C(Nc12)c3ccc(cc3)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCOC(=O)c1cnn2c1NC(=CC2=O)c3ccc(cc3)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)c1cnn2c1NC(=CC2=O)c3ccc(cc3)C(F)(F)F

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