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CID 639
- 中文名：
- CID：
639
- CAS号：
- 分子式：
- 分子量：
252.23 g/mol
- InChI：
- InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)
- InChI Key：
- VGONTNSXDCQUGY-UHFFFAOYSA-N
- SMILES：
- C1C(C(OC1N2C=NC3=C2NC=NC3=O)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 | 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/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17) | International Chemical Identifier (InChI) computed from chemical structure using the International Union of Pure and Applied Chemistry (IUPAC) standard. |
| InChI Key | VGONTNSXDCQUGY-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)CO)O | Simplified Molecular-Input Line-Entry System (SMILES) computed from chemical structure devoid of isotopic and stereochemical information. |
