2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-(2-pentylsulfanylethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-(2-pentylsulfanylethyl)-1H-pyrimidin-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-(2-pentylsulfanylethyl)-1H-pyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-[2-(pentylthio)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(2,4-dimethylphenyl)methyl]-6-methyl-5-(2-pentylsulfanylethyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-(amylthio)ethyl]-2-(2,4-dimethylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H30N2OS MolecularWeight: 358.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCC1=C(NC(=NC1=O)CC2=C(C=C(C=C2)C)C)C

Isomeric SMILES

CCCCCSCCC1=C(NC(=NC1=O)CC2=C(C=C(C=C2)C)C)C

InChI

InChI=1S/C21H30N2OS/c1-5-6-7-11-25-12-10-19-17(4)22-20(23-21(19)24)14-18-9-8-15(2)13-16(18)3/h8-9,13H,5-7,10-12,14H2,1-4H3,(H,22,23,24)