6-(3,5-dimethylphenyl)selanyl-5-ethyl-1-(phenylmethoxymethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-(3,5-dimethylphenyl)selanyl-5-ethyl-1-(phenylmethoxymethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(benzyloxymethyl)-6-(3,5-dimethylphenyl)selanyl-5-ethyl-2-thioxo-pyrimidin-4-one CAS Name: 6-[(3,5-dimethylphenyl)seleno]-5-ethyl-1-(phenylmethoxymethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-(3,5-dimethylphenyl)selanyl-5-ethyl-1-(phenylmethoxymethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(benzoxymethyl)-6-[(3,5-dimethylphenyl)seleno]-5-ethyl-2-thioxo-pyrimidin-4-one Formula: C22H24N2O2SSe MolecularWeight: 459.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=S)NC1=O)COCC2=CC=CC=C2)[Se]C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCC1=C(N(C(=S)NC1=O)COCC2=CC=CC=C2)[Se]C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H24N2O2SSe/c1-4-19-20(25)23-22(27)24(14-26-13-17-8-6-5-7-9-17)21(19)28-18-11-15(2)10-16(3)12-18/h5-12H,4,13-14H2,1-3H3,(H,23,25,27)