2-[(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
基本情報
- CAS
889949-81-9- 標準SMILES
CCCn1c(SCC(=O)Nc2c(C)ccc3nsnc23)nc2c1c(=O)n(C)c(=O)n2C- InChIKey
OWQNLFCDPNQRIM-UHFFFAOYSA-N- 分子式
- C19H21N7O3S2
- 平均分子量
- 459.6 g/mol
- 単同位体質量
- 459.1147299
名称と識別子
- 優先名称
- 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
- IUPAC
- 2-(1,3-dimethyl-2,6-dioxo-7-propylpurin-8-yl)sulfanyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
名称と別名
ZINC94097742-((1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)-N-(5-methylbenzo[c][1,2,5]thiadiazol-4-yl)acetamide889949-81-9DTXSID501104222MFCD06617032STK743935ZINC09409774AKOS0017267402-[(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamideZINC000009409774CCCN1C2=C(N=C1SCC(=O)NC3=C(C=CC4=NSN=C43)C)N(C(=O)N(C2=O)C)C2(13DIMETHYL26DIOXO7PROPYLPURIN8YL)SULFANYLN(5METHYL213BENZOTHIADIAZOL4YL)ACETAMIDE
名称をさらに表示
2((13dimethyl26dioxo7propyl2367tetrahydro1Hpurin8yl)sulfanyl)N(5methyl213benzothiadiazol4yl)acetamide2((13dimethyl26dioxo7propyl2367tetrahydro1Hpurin8yl)thio)N(5methylbenzo(c)(125)thiadiazol4yl)acetamideN-(5-Methyl-2,1,3-benzothiadiazol-4-yl)-2-[(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-propyl-1H-purin-8-yl)thio]acetamide
データベース識別子
- CAS
889949-81-9- PubChem CID
- 5300116
- DTXSID
DTXSID501104222
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 167 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 6
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 729
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