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T4I

Summary
Name:1,5-dimethyl-3-(naphthalen-2-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:C28 H24 N2 O5
Formal charge:0
Formula weight:468.501 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C28H24N2O5/c1-16-20(26(33)25-22(31)8-5-9-23(25)32)12-13-21-24(16)27(34)30(28(35)29(21)2)15-17-10-11-18-6-3-4-7-19(18)14-17/h3-4,6-7,10-14,31H,5,8-9,15H2,1-2H3
InChIKeyInChI1.06GHRJMVCPLXTDDU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)c4c(C)c(ccc14)C(=O)C5=C(O)CCCC5=O
SMILESCACTVS3.385CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)c4c(C)c(ccc14)C(=O)C5=C(O)CCCC5=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccc4ccccc4c3)C(=O)C5=C(CCCC5=O)O
SMILESOpenEye OEToolkits2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccc4ccccc4c3)C(=O)C5=C(CCCC5=O)O

227344

건을2024-11-13부터공개중

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