Basic information
- CAS
1222-30-6- Standard SMILES
CC(=O)Nc1nc(C)c(CCC#N)c(SC(=N)N)n1- InChIKey
MULPGLGDMQKIFP-UHFFFAOYSA-N- Molecular formula
- C11H14N6OS
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.09498026
Names & identifiers
- Preferred name
- 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate
- IUPAC
- [2-acetamido-5-(2-cyanoethyl)-6-methylpyrimidin-4-yl] carbamimidothioate
Names & synonyms
2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamateNSC 952671222-30-6NSC95267DTXSID601535412-Acetamido-5-(2-cyanoethyl)-6-methylpyrimidin-4-yl carbamimidothioateN-[4-carbamimidoylsulfanyl-5-(2-cyanoethyl)-6-methyl-pyrimidin-2-yl]acetamide
Database identifiers
- CAS
1222-30-6- PubChem CID
- 417779
- DTXSID
DTXSID60153541
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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