7-(Ethylthio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
7403-28-3- Standard SMILES
CCSc1ncc2c(=O)[nH]c(=O)[nH]c2n1- InChIKey
GJPBFNCKTGVJLO-UHFFFAOYSA-N- Molecular formula
- C8H8N4O2S
- Average molar mass
- 224.24 g/mol
- Monoisotopic mass
- 224.03679668
Names & identifiers
- Preferred name
- 7-(Ethylthio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
- IUPAC
- 2-ethylsulfanyl-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
Names & synonyms
NSC4030907403-28-3DTXSID203231227-(Ethylthio)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dioneNSC-403090SY4047457-(Ethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
7403-28-3- PubChem CID
- 345459
- DTXSID
DTXSID20323122
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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