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9XI

Summary
Name:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2,4-dione
Formula:C23 H20 N2 O5
Formal charge:0
Formula weight:404.415 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H20N2O5/c1-13-15(21(28)20-17(26)9-6-10-18(20)27)11-12-16-19(13)22(29)25(23(30)24(16)2)14-7-4-3-5-8-14/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3
InChIKeyInChI1.03WMCOSXYONDITDX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4
SMILESCACTVS3.385CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3)C(=O)C4=C(CCCC4=O)O
SMILESOpenEye OEToolkits2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3)C(=O)C4=C(CCCC4=O)O

222415

数据于2024-07-10公开中

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