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

Systemtic Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5-[(4-cyclohexylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5-[(4-cyclohexylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5-(4-cyclohexylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CC3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C25H28N2OS/c1-18-23(16-19-12-14-22(15-13-19)21-10-6-3-7-11-21)24(28)27-25(26-18)29-17-20-8-4-2-5-9-20/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-17H2,1H3,(H,26,27,28)