ethyl 6-[[4-oxidanylidene-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate

Systemtic Name: ethyl 6-[[4-oxidanylidene-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate Openeye Name: ethyl 6-[[4-oxo-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate CAS Name: 6-[[4-oxo-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-oxo-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate Traditional Name: 6-[[4-keto-6-(1-phenylpropyl)-1H-pyrimidin-2-yl]thio]hexanoic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2=CC(=O)N=C(N2)SCCCCCC(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)C2=CC(=O)N=C(N2)SCCCCCC(=O)OCC

InChI

InChI=1S/C21H28N2O3S/c1-3-17(16-11-7-5-8-12-16)18-15-19(24)23-21(22-18)27-14-10-6-9-13-20(25)26-4-2/h5,7-8,11-12,15,17H,3-4,6,9-10,13-14H2,1-2H3,(H,22,23,24)