2-cyclohexylsulfanyl-6-(1-phenylethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-cyclohexylsulfanyl-6-(1-phenylethyl)-1H-pyrimidin-4-one Openeye Name: 2-cyclohexylsulfanyl-6-(1-phenylethyl)-1H-pyrimidin-4-one CAS Name: 2-(cyclohexylthio)-6-(1-phenylethyl)-1H-pyrimidin-4-one IUPAC Name: 2-cyclohexylsulfanyl-6-(1-phenylethyl)-1H-pyrimidin-4-one Traditional Name: 2-(cyclohexylthio)-6-(1-phenylethyl)-1H-pyrimidin-4-one Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=O)N=C(N2)SC3CCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=O)N=C(N2)SC3CCCCC3

InChI

InChI=1S/C18H22N2OS/c1-13(14-8-4-2-5-9-14)16-12-17(21)20-18(19-16)22-15-10-6-3-7-11-15/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H,19,20,21)