主记录
DONETIDINE
- CAS
- 99248-32-5
- PubChem CID
- 57484
- SMILES
- CN(C)CC1=CC=C(O1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=CNC3=O
- 分子式
- C20H25N5O3S
- 分子量
- 415.519
- 精确分子量
- 415.1678
- InChI
- InChI=1S/C20H25N5O3S/c1-25(2)12-16-5-6-17(28-16)13-29-9-8-22-20-23-11-15(19(27)24-20)10-14-4-3-7-21-18(14)26/h3-7,11H,8-10,12-13H2,1-2H3,(H,21,26)(H2,22,23,24,27)
- InChIKey
- ZZHPEHZVLGBGAK-UHFFFAOYSA-N
- LogP
- 2.0489
- TPSA
- 107.02
名称与别名
- DONETIDINE
- AC1L1N3C
- SCHEMBL534284
- DTXSID80912819
- CID57484
- NS00126718
- 2-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}amino)-5-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]pyrimidin-4(1H)-one
- 2-({2-[({5-[(Dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl}imino)-5-[(2-hydroxypyridin-3-yl)methyl]-1,2-dihydropyrimidin-4-ol
- 2-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethylamino]-5-[(2-oxo-1H-pyridin-3-yl)methyl]-1H-pyrimidin-6-one
- 99248-32-5