{[6-Amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid
Basic information
- CAS
91338-31-7- Standard SMILES
C=CCn1c(N)c(SCC(=O)O)c(=O)n(CC)c1=O- InChIKey
BUSRRYPSOWYCBP-UHFFFAOYSA-N- Molecular formula
- C11H15N3O4S
- Average molar mass
- 285.32 g/mol
- Monoisotopic mass
- 285.07832714
Names & identifiers
- Preferred name
- {[6-Amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acid
- IUPAC
- 2-(4-amino-1-ethyl-2,6-dioxo-3-prop-2-enylpyrimidin-5-yl)sulfanylacetic acid
Names & synonyms
91338-31-72-((1-Allyl-6-amino-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thio)acetic acidNSC70504{[6-amino-3-ethyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidin-5-yl]sulfanyl}acetic acidDTXSID70290719NSC-705042-((1-Allyl-6-amino-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thio)aceticacid
Database identifiers
- CAS
91338-31-7- PubChem CID
- 250751
- DTXSID
DTXSID70290719
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 461
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Compound notes
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