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Basic information
- CAS
892164-01-1- Standard SMILES
CCOC(=O)Cn1c(SCC#N)nc2c1c(=O)n(C)c(=O)n2C- InChIKey
BJEFJOFVLQQXBP-UHFFFAOYSA-N- Molecular formula
- C13H15N5O4S
- Average molar mass
- 337.36 g/mol
Names & identifiers
- Preferred name
- Ethyl {8-[(cyanomethyl)sulfanyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
- English name
- Ethyl {8-[(cyanomethyl)sulfanyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
- Molecular formula
- C13H15N5O4S
- Molecular weight
- 337.36
Names & synonyms
Ethyl {8-[(cyanomethyl)sulfanyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate7H-Purine-7-acetic acid, 8-[(cyanomethyl)thio]-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, ethyl ester
Database identifiers
- CAS
892164-01-1- PubChem CID
- 4200415
- EC Number
- 131-181-5
Properties
Physicochemical properties
- Boiling point
- 561.478 · 561.478±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.473 · 1.473±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.734 · -2.734±0.70(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
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Compound notes
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