5-ethyl-1-(phenethyloxymethyl)-6-phenylsulfanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-ethyl-1-(phenethyloxymethyl)-6-phenylsulfanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-ethyl-1-(phenethyloxymethyl)-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one CAS Name: 5-ethyl-1-(phenethyloxymethyl)-6-(phenylthio)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-ethyl-1-(phenethyloxymethyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-ethyl-1-(phenethyloxymethyl)-6-(phenylthio)-2-thioxo-pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=S)NC1=O)COCCC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCC1=C(N(C(=S)NC1=O)COCCC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S2/c1-2-18-19(24)22-21(26)23(20(18)27-17-11-7-4-8-12-17)15-25-14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,22,24,26)