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TNK

概要
表記:6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
組成式:C22 H24 N2 O3
電荷:0
化学式量:364.438 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.046-benzyl-1-[(benzyloxy)methyl]-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits1.5.01-(phenylmethoxymethyl)-6-(phenylmethyl)-5-propan-2-yl-pyrimidine-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
SMILESACDLabs10.04O=C1C(=C(N(C(=O)N1)COCc2ccccc2)Cc3ccccc3)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)C1=C(Cc2ccccc2)N(COCc3ccccc3)C(=O)NC1=O
SMILESCACTVS3.341CC(C)C1=C(Cc2ccccc2)N(COCc3ccccc3)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3
SMILESOpenEye OEToolkits1.5.0CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3
InChIInChI1.03InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)
InChIKeyInChI1.03KSAAUHMSLCPIEX-UHFFFAOYSA-N

222415

件を2024-07-10に公開中

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