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

Systemtic Name: ethyl 6-[[4-oxidanylidene-6-(1-phenylcyclopropyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate Openeye Name: ethyl 6-[[4-oxo-6-(1-phenylcyclopropyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate CAS Name: 6-[[4-oxo-6-(1-phenylcyclopropyl)-1H-pyrimidin-2-yl]thio]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[4-oxo-6-(1-phenylcyclopropyl)-1H-pyrimidin-2-yl]sulfanyl]hexanoate Traditional Name: 6-[[4-keto-6-(1-phenylcyclopropyl)-1H-pyrimidin-2-yl]thio]hexanoic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCSC1=NC(=O)C=C(N1)C2(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCSC1=NC(=O)C=C(N1)C2(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S/c1-2-26-19(25)11-7-4-8-14-27-20-22-17(15-18(24)23-20)21(12-13-21)16-9-5-3-6-10-16/h3,5-6,9-10,15H,2,4,7-8,11-14H2,1H3,(H,22,23,24)