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9ZH

概要
表記:1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-phenylpropyl)quinazoline-2,4-dione
組成式:C26 H26 N2 O5
電荷:0
化学式量:446.495 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.71,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-phenylpropyl)quinazoline-2,4-dione

化合物記述子(線形表記)

種別プログラムバージョン表記
InChIInChI1.03InChI=1S/C26H26N2O5/c1-16-18(24(31)23-20(29)11-6-12-21(23)30)13-14-19-22(16)25(32)28(26(33)27(19)2)15-7-10-17-8-4-3-5-9-17/h3-5,8-9,13-14,29H,6-7,10-12,15H2,1-2H3
InChIKeyInChI1.03AWYNLWBZJALMMQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1C(=O)N(CCCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
SMILESCACTVS3.385CN1C(=O)N(CCCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCCc3ccccc3)C(=O)C4=C(CCCC4=O)O
SMILESOpenEye OEToolkits2.0.7Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCCc3ccccc3)C(=O)C4=C(CCCC4=O)O

224931

件を2024-09-11に公開中

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