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Summary Geometry Related PDB entries

WTG

Summary

Name:	2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
Formula:	C20 H18 F N3 O5
Formal charge:	0
Formula weight:	399.372 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(2-fluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide
OpenEye OEToolkits	2.0.7	2-(2-fluorophenyl)-~{N}-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-5-oxidanyl-4-oxidanylidene-1~{H}-pyrimidine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3c(c(OC)cc(CCNC(=O)C2=C(O)C(=O)N=C(c1c(cccc1)F)N2)c3)O
InChI	InChI	1.03	InChI=1S/C20H18FN3O5/c1-29-15-10-11(6-7-14(15)25)8-9-22-19(27)16-17(26)20(28)24-18(23-16)12-4-2-3-5-13(12)21/h2-7,10,25-26H,8-9H2,1H3,(H,22,27)(H,23,24,28)
InChIKey	InChI	1.03	HSBCFDIQFPZSGO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3ccccc3F)ccc1O
SMILES	CACTVS	3.385	COc1cc(CCNC(=O)C2=C(O)C(=O)N=C(N2)c3ccccc3F)ccc1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3F)O
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(ccc1O)CCNC(=O)C2=C(C(=O)N=C(N2)c3ccccc3F)O

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