2-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O2S/c1-2-8-16-13-20(27)26-23(25-16)29-22(15-9-4-3-5-10-15)21(28)18-14-24-19-12-7-6-11-17(18)19/h3-7,9-14,22,24H,2,8H2,1H3,(H,25,26,27)