1-(((2-Pentyloxy)ethoxy)methyl)-6-(phenylthio)thymine

HCID 454544

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 136160-16-2
Standard SMILES: CCCCCOCCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O
InChIKey: AGUPYPATWNLBOM-UHFFFAOYSA-N
Molecular formula: C19H26N2O4S
Average molar mass: 378.5 g/mol
Monoisotopic mass: 378.16132849

Names & identifiers

Preferred name: 1-(((2-Pentyloxy)ethoxy)methyl)-6-(phenylthio)thymine
IUPAC: 5-methyl-1-(2-pentoxyethoxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione

Names & synonyms

1-AmylOEtOMe-6PhS T136160-16-21-(((2-Pentyloxy)ethoxy)methyl)-6-(phenylthio)thymine1-[[(2-Pentyloxy)ethoxy]methyl]-6-(phenylthio)thymineCHEMBL142593DTXSID201597015-methyl-1-(2-pentoxyethoxymethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione5-Methyl-1-{[2-(pentyloxy)ethoxy]methyl}-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione

Database identifiers

CAS: 136160-16-2
PubChem CID: 454544
DTXSID: DTXSID20159701
ChEMBL: CHEMBL142593
Nikkaji: J522.689I

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 93.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 26
Formal charge: 0
Complexity: 504

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…