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CID 638
- 中文名：
- CID：
638
- CAS号：
- 分子式：
- 分子量：
267.24 g/mol
- InChI：
- InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)
- InChI Key：
- YKBGVTZYEHREMT-UHFFFAOYSA-N
- SMILES：
- C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O
- 化学品安全：
2 名称和标识符
记录的标识符，同义词，化学名称，描述等
2.1 计算描述符
计算描述符从输入的化学结构生成
| IUPAC 名称 | 2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one | Chemical name computed from chemical structure that uses International Union of Pure and Applied Chemistry (IUPAC) nomenclature standards. |
| InChI | InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18) | International Chemical Identifier (InChI) computed from chemical structure using the International Union of Pure and Applied Chemistry (IUPAC) standard. |
| InChI Key | YKBGVTZYEHREMT-UHFFFAOYSA-N | International Chemical Identifier hash (InChIKey) computed from chemical structure using the International Union of Pure and Applied Chemistry (IUPAC) standard. |
| 规范的SMILES | C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)O | Simplified Molecular-Input Line-Entry System (SMILES) computed from chemical structure devoid of isotopic and stereochemical information. |
