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9YI

Summary
Name:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione
Formula:C25 H24 N2 O5
Formal charge:0
Formula weight:432.468 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H24N2O5/c1-15-17(23(30)22-19(28)9-6-10-20(22)29)11-12-18-21(15)24(31)27(25(32)26(18)2)14-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,28H,6,9-10,13-14H2,1-2H3
InChIKeyInChI1.03GZAFFHHHKALSDD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)N(CCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
SMILESCACTVS3.385CN1C(=O)N(CCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCc3ccccc3)C(=O)C4=C(CCCC4=O)O
SMILESOpenEye OEToolkits2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCc3ccccc3)C(=O)C4=C(CCCC4=O)O

221051

PDB entries from 2024-06-12

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