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9XU

Summary
Name:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione
Formula:C24 H22 N2 O5
Formal charge:0
Formula weight:418.442 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C24H22N2O5/c1-14-16(22(29)21-18(27)9-6-10-19(21)28)11-12-17-20(14)23(30)26(24(31)25(17)2)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,27H,6,9-10,13H2,1-2H3
InChIKeyInChI1.03WOMKWUPMJGUMOM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)N(Cc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
SMILESCACTVS3.385CN1C(=O)N(Cc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccccc3)C(=O)C4=C(CCCC4=O)O
SMILESOpenEye OEToolkits2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccccc3)C(=O)C4=C(CCCC4=O)O

225946

PDB entries from 2024-10-09

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