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

Systemtic Name: 2-cyclohexylsulfanyl-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-cyclohexylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(cyclohexylthio)-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-cyclohexylsulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-(cyclohexylthio)-6-methyl-1H-pyrimidin-4-one Formula: C18H22N2OS MolecularWeight: 314.44508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC2CCCCC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC2CCCCC2)CC3=CC=CC=C3

InChI

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