3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-6-phenyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-6-phenyl-pyrimidin-4-one CAS Name: 3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-phenyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-phenylpyrimidin-4-one Traditional Name: 2-(benzylthio)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-6-phenyl-pyrimidin-4-one Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CN3C(=O)C=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CN3C(=O)C=C(N=C3SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O2S/c32-26-18-24(22-12-5-2-6-13-22)29-28(34-20-21-10-3-1-4-11-21)31(26)19-27(33)30-17-9-15-23-14-7-8-16-25(23)30/h1-8,10-14,16,18H,9,15,17,19-20H2