2-cyclohexylsulfanyl-5-methyl-6-(phenoxymethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-cyclohexylsulfanyl-5-methyl-6-(phenoxymethyl)-1H-pyrimidin-4-one Openeye Name: 2-cyclohexylsulfanyl-5-methyl-6-(phenoxymethyl)-1H-pyrimidin-4-one CAS Name: 2-(cyclohexylthio)-5-methyl-6-(phenoxymethyl)-1H-pyrimidin-4-one IUPAC Name: 2-cyclohexylsulfanyl-5-methyl-6-(phenoxymethyl)-1H-pyrimidin-4-one Traditional Name: 2-(cyclohexylthio)-5-methyl-6-(phenoxymethyl)-1H-pyrimidin-4-one Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SC2CCCCC2)COC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=NC1=O)SC2CCCCC2)COC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O2S/c1-13-16(12-22-14-8-4-2-5-9-14)19-18(20-17(13)21)23-15-10-6-3-7-11-15/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3,(H,19,20,21)