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6-(1-cyclohexylethyl)-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one

6-(1-cyclohexylethyl)-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one

Systemtic Name:6-(1-cyclohexylethyl)-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one
Openeye Name:6-(1-cyclohexylethyl)-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one
CAS Name:6-(1-cyclohexylethyl)-5-methyl-2-(phenacylthio)-1H-pyrimidin-4-one
IUPAC Name:6-(1-cyclohexylethyl)-5-methyl-2-phenacylsulfanyl-1H-pyrimidin-4-one
Traditional Name:6-(1-cyclohexylethyl)-5-methyl-2-(phenacylthio)-1H-pyrimidin-4-one
Formula: C21H26N2O2S
MolecularWeight: 370.50834
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)C(C)C3CCCCC3


Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=CC=C2)C(C)C3CCCCC3


InChI

InChI=1S/C21H26N2O2S/c1-14(16-9-5-3-6-10-16)19-15(2)20(25)23-21(22-19)26-13-18(24)17-11-7-4-8-12-17/h4,7-8,11-12,14,16H,3,5-6,9-10,13H2,1-2H3,(H,22,23,25)


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