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

Systemtic Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-(2-indolin-1-yl-2-oxo-ethyl)-1H-pyrimidin-4-one CAS Name: 6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-(2-indolin-1-yl-2-keto-ethyl)-1H-pyrimidin-4-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CC3=CC(=O)N=C(N3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S/c25-19-12-17(22-21(23-19)27-14-15-6-2-1-3-7-15)13-20(26)24-11-10-16-8-4-5-9-18(16)24/h1-9,12H,10-11,13-14H2,(H,22,23,25)