2-cyclohexylsulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-cyclohexylsulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-cyclohexylsulfanyl-6-(m-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(cyclohexylthio)-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-cyclohexylsulfanyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(cyclohexylthio)-6-(3-methylbenzyl)-1H-pyrimidin-4-one Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CC(=O)N=C(N2)SC3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CC(=O)N=C(N2)SC3CCCCC3

InChI

InChI=1S/C18H22N2OS/c1-13-6-5-7-14(10-13)11-15-12-17(21)20-18(19-15)22-16-8-3-2-4-9-16/h5-7,10,12,16H,2-4,8-9,11H2,1H3,(H,19,20,21)