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

Systemtic Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-1H-pyrimidin-4-one CAS Name: 6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]-1H-pyrimidin-4-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c26-20-13-18(23-22(24-20)28-15-16-7-2-1-3-8-16)14-21(27)25-12-6-10-17-9-4-5-11-19(17)25/h1-5,7-9,11,13H,6,10,12,14-15H2,(H,23,24,26)