Basic information
- Standard SMILES
N#Cc1c(NCCSc2ccccc2)nc(N)nc1-c1ccco1- InChIKey
RFOZXZNZONZTMN-UHFFFAOYSA-N- Molecular formula
- C17H15N5OS
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.09973129
Names & identifiers
- Preferred name
- 2-Amino-4-furan-2-yl-6-(2-phenylsulfanyl-ethylamino)-pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4-(furan-2-yl)-6-(2-phenylsulfanylethylamino)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL5039880RFOZXZNZONZTMN-UHFFFAOYSA-N2-Amino-4-furan-2-yl-6-(2-phenylsulfanyl-ethylamino)-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 18507526
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Related reactions
2 records
Compound notes
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