2-cyclohexylsulfanyl-6-phenethyl-1H-pyrimidin-4-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=NC(=O)C=C(N2)CCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)SC2=NC(=O)C=C(N2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H22N2OS/c21-17-13-15(12-11-14-7-3-1-4-8-14)19-18(20-17)22-16-9-5-2-6-10-16/h1,3-4,7-8,13,16H,2,5-6,9-12H2,(H,19,20,21)