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

Systemtic Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-indolin-1-yl-2-keto-ethyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C17H19N3O2S/c1-2-5-13-10-15(21)19-17(18-13)23-11-16(22)20-9-8-12-6-3-4-7-14(12)20/h3-4,6-7,10H,2,5,8-9,11H2,1H3,(H,18,19,21)