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WI9

Summary
Name:1,8-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 OEToolkits2.0.71,8-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C24H22N2O5/c1-14-11-16(22(29)20-18(27)9-6-10-19(20)28)12-17-21(14)25(2)24(31)26(23(17)30)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,27H,6,9-10,13H2,1-2H3
InChIKeyInChI1.06CACPGXABOZPVTI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)N(Cc2ccccc2)C(=O)c3cc(cc(C)c13)C(=O)C4=C(O)CCCC4=O
SMILESCACTVS3.385CN1C(=O)N(Cc2ccccc2)C(=O)c3cc(cc(C)c13)C(=O)C4=C(O)CCCC4=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc2c1N(C(=O)N(C2=O)Cc3ccccc3)C)C(=O)C4=C(CCCC4=O)O
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc2c1N(C(=O)N(C2=O)Cc3ccccc3)C)C(=O)C4=C(CCCC4=O)O

226262

PDB entries from 2024-10-16

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