2-cyclopentylsulfanyl-5-ethyl-6-(phenylcarbonyl)-1H-pyrimidin-4-one

Systemtic Name: 2-cyclopentylsulfanyl-5-ethyl-6-(phenylcarbonyl)-1H-pyrimidin-4-one Openeye Name: 6-benzoyl-2-cyclopentylsulfanyl-5-ethyl-1H-pyrimidin-4-one CAS Name: 6-benzoyl-2-(cyclopentylthio)-5-ethyl-1H-pyrimidin-4-one IUPAC Name: 6-benzoyl-2-cyclopentylsulfanyl-5-ethyl-1H-pyrimidin-4-one Traditional Name: 6-benzoyl-2-(cyclopentylthio)-5-ethyl-1H-pyrimidin-4-one Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC2CCCC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC2CCCC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O2S/c1-2-14-15(16(21)12-8-4-3-5-9-12)19-18(20-17(14)22)23-13-10-6-7-11-13/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,19,20,22)