English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

YD2

Summary

Name:	3-(4-fluorophenyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:	C23 H19 F N2 O5
Formal charge:	0
Formula weight:	422.406 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-(4-fluorophenyl)-1,6-dimethyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H19FN2O5/c1-12-10-16-17(11-15(12)21(29)20-18(27)4-3-5-19(20)28)25(2)23(31)26(22(16)30)14-8-6-13(24)7-9-14/h6-11,27H,3-5H2,1-2H3
InChIKey	InChI	1.06	UTZSWCGZCJFBSU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C(=O)N(C(=O)c2cc(C)c(cc12)C(=O)C3=C(O)CCCC3=O)c4ccc(F)cc4
SMILES	CACTVS	3.385	CN1C(=O)N(C(=O)c2cc(C)c(cc12)C(=O)C3=C(O)CCCC3=O)c4ccc(F)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc2c(cc1C(=O)C3=C(CCCC3=O)O)N(C(=O)N(C2=O)c4ccc(cc4)F)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc2c(cc1C(=O)C3=C(CCCC3=O)O)N(C(=O)N(C2=O)c4ccc(cc4)F)C

246704

PDB entries from 2025-12-24

PDB statistics

PDBj update info

Contact PDBj

numon