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P9L

概要
表記:1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
組成式:C14 H19 N3 O4 S
電荷:0
化学式量:325.383 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.011,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
OpenEye OEToolkits1.9.21,3-dimethyl-6-morpholin-4-ylsulfonyl-4H-quinazolin-2-one

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=S(=O)(N1CCOCC1)c3cc2c(N(C(=O)N(C)C2)C)cc3
InChIInChI1.03InChI=1S/C14H19N3O4S/c1-15-10-11-9-12(3-4-13(11)16(2)14(15)18)22(19,20)17-5-7-21-8-6-17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyInChI1.03LFBDSGLXLXJATE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOCC3
SMILESCACTVS3.385CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOCC3
SMILES_CANONICALOpenEye OEToolkits1.9.2CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3
SMILESOpenEye OEToolkits1.9.2CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3

222415

件を2024-07-10に公開中

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