6-(3-methylphenyl)selanyl-1-(phenylmethoxymethyl)-5-propan-2-yl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-(3-methylphenyl)selanyl-1-(phenylmethoxymethyl)-5-propan-2-yl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(benzyloxymethyl)-5-isopropyl-6-(m-tolylselanyl)-2-thioxo-pyrimidin-4-one CAS Name: 6-[(3-methylphenyl)seleno]-1-(phenylmethoxymethyl)-5-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-(3-methylphenyl)selanyl-1-(phenylmethoxymethyl)-5-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(benzoxymethyl)-5-isopropyl-6-(m-tolylseleno)-2-thioxo-pyrimidin-4-one Formula: C22H24N2O2SSe MolecularWeight: 459.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[Se]C2=C(C(=O)NC(=S)N2COCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)[Se]C2=C(C(=O)NC(=S)N2COCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H24N2O2SSe/c1-15(2)19-20(25)23-22(27)24(14-26-13-17-9-5-4-6-10-17)21(19)28-18-11-7-8-16(3)12-18/h4-12,15H,13-14H2,1-3H3,(H,23,25,27)