ethyl 2-(1-phenylsulfanylbutyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1-phenylsulfanylbutyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1-phenylsulfanylbutyl)pyrimidine-5-carboxylate CAS Name: 2-[1-(phenylthio)butyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-phenylsulfanylbutyl)pyrimidine-5-carboxylate Traditional Name: 2-[1-(phenylthio)butyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NC=C(C=N1)C(=O)OCC)SC2=CC=CC=C2

Isomeric SMILES

CCCC(C1=NC=C(C=N1)C(=O)OCC)SC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O2S/c1-3-8-15(22-14-9-6-5-7-10-14)16-18-11-13(12-19-16)17(20)21-4-2/h5-7,9-12,15H,3-4,8H2,1-2H3