5-ethyl-1-(phenethyloxymethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 5-ethyl-1-(phenethyloxymethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 5-ethyl-1-(phenethyloxymethyl)-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 5-ethyl-1-(phenethyloxymethyl)-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 5-ethyl-1-(phenethyloxymethyl)-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 5-ethyl-1-(phenethyloxymethyl)-6-(phenylthio)pyrimidine-2,4-quinone Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-2-18-19(24)22-21(25)23(20(18)27-17-11-7-4-8-12-17)15-26-14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,22,24,25)