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

Systemtic Name: 2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H17N3O2S/c1-2-5-11-8-16(22)20-17(19-11)23-10-15(21)13-9-18-14-7-4-3-6-12(13)14/h3-4,6-9,18H,2,5,10H2,1H3,(H,19,20,22)