5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-(pentylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-pentylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(amylthio)-5-(4-cyclohexylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C23H32N2OS MolecularWeight: 384.57798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C(=C(N1)C)CC2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CCCCCSC1=NC(=O)C(=C(N1)C)CC2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C23H32N2OS/c1-3-4-8-15-27-23-24-17(2)21(22(26)25-23)16-18-11-13-20(14-12-18)19-9-6-5-7-10-19/h11-14,19H,3-10,15-16H2,1-2H3,(H,24,25,26)