Methyl N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N'-propylcarbamimidothioate--hydrogen iodide (1/1)
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Basic information
- CAS
32532-46-0- Standard SMILES
CCCN=C(Nc1cn(C)c(=O)n(C)c1=O)SC.I- InChIKey
QTOPRKVWSKTRAD-UHFFFAOYSA-N- Molecular formula
- C11H19IN4O2S
- Average molar mass
- 398.27 g/mol
- Monoisotopic mass
- 398.02734
Names & identifiers
- Preferred name
- Methyl N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N'-propylcarbamimidothioate--hydrogen iodide (1/1)
- IUPAC
- methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-propylcarbamimidothioate;hydroiodide
- English name
- Pseudourea, 2-methyl-3-propyl-1-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-d ioxo-5-pyrimidinyl)-2-thio-, monohydriodide
- Molecular weight
- 0
Names & synonyms
32532-46-0DTXSID90954265Methyl N-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N'-propylcarbamimidothioate--hydrogen iodide (1/1)RefChem:1089601DTXCID301382290Pseudourea, 2-methyl-3-propyl-1-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-thio-, monohydriodidePseudourea, 2-methyl-3-propyl-1-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-d ioxo-5-pyrimidinyl)-2-thio-, monohydriodide
Database identifiers
- CAS
32532-46-0- PubChem CID
- 208592
- DTXSID
DTXSID90954265
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
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Compound notes
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