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RYN

概要
表記:N-ethyl-N'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine
別名:Ametryn
組成式:C9 H17 N5 S
電荷:0
化学式量:227.33 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01N-ethyl-6-(methylsulfanyl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
OpenEye OEToolkits1.7.0N4-ethyl-6-methylsulfanyl-N2-propan-2-yl-1,3,5-triazine-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
SMILESACDLabs12.01S(c1nc(nc(n1)NC(C)C)NCC)C
SMILES_CANONICALCACTVS3.370CCNc1nc(NC(C)C)nc(SC)n1
SMILESCACTVS3.370CCNc1nc(NC(C)C)nc(SC)n1
SMILES_CANONICALOpenEye OEToolkits1.7.0CCNc1nc(nc(n1)SC)NC(C)C
SMILESOpenEye OEToolkits1.7.0CCNc1nc(nc(n1)SC)NC(C)C
InChIInChI1.03InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
InChIKeyInChI1.03RQVYBGPQFYCBGX-UHFFFAOYSA-N

222036

件を2024-07-03に公開中

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