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

Systemtic Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Openeye Name: 2-allylsulfanyl-5-[(4-cyclohexylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-(prop-2-enylthio)-1H-pyrimidin-4-one IUPAC Name: 5-[(4-cyclohexylphenyl)methyl]-6-methyl-2-prop-2-enylsulfanyl-1H-pyrimidin-4-one Traditional Name: 2-(allylthio)-5-(4-cyclohexylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS/c1-3-13-25-21-22-15(2)19(20(24)23-21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17/h3,9-12,17H,1,4-8,13-14H2,2H3,(H,22,23,24)