5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5-[(4-cyclohexylphenyl)methyl]-2-isopentylsulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-(3-methylbutylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5-(4-cyclohexylbenzyl)-2-(isoamylthio)-6-methyl-1H-pyrimidin-4-one Formula: C23H32N2OS MolecularWeight: 384.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCCC(C)C)CC2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCCC(C)C)CC2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C23H32N2OS/c1-16(2)13-14-27-23-24-17(3)21(22(26)25-23)15-18-9-11-20(12-10-18)19-7-5-4-6-8-19/h9-12,16,19H,4-8,13-15H2,1-3H3,(H,24,25,26)