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64J

概要
表記:5-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
組成式:C14 H11 F3 N4 O S2
電荷:0
化学式量:372.389 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.015-methyl-6-{[4-(trifluoromethoxy)phenyl]sulfanyl}thieno[2,3-d]pyrimidine-2,4-diamine
OpenEye OEToolkits2.0.45-methyl-6-[4-(trifluoromethyloxy)phenyl]sulfanyl-thieno[2,3-d]pyrimidine-2,4-diamine

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01c13nc(nc(c1c(c(Sc2ccc(OC(F)(F)F)cc2)s3)C)N)N
InChIInChI1.03InChI=1S/C14H11F3N4OS2/c1-6-9-10(18)20-13(19)21-11(9)24-12(6)23-8-4-2-7(3-5-8)22-14(15,16)17/h2-5H,1H3,(H4,18,19,20,21)
InChIKeyInChI1.03HDFJEMJYJKUGRK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1c(Sc2ccc(OC(F)(F)F)cc2)sc3nc(N)nc(N)c13
SMILESCACTVS3.385Cc1c(Sc2ccc(OC(F)(F)F)cc2)sc3nc(N)nc(N)c13
SMILES_CANONICALOpenEye OEToolkits2.0.4Cc1c2c(nc(nc2sc1Sc3ccc(cc3)OC(F)(F)F)N)N
SMILESOpenEye OEToolkits2.0.4Cc1c2c(nc(nc2sc1Sc3ccc(cc3)OC(F)(F)F)N)N

223166

件を2024-07-31に公開中

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