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

Systemtic Name: 5-(2-butylsulfanylethyl)-2-[(2,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-(2-butylsulfanylethyl)-2-[(2,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(butylthio)ethyl]-2-[(2,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-(2-butylsulfanylethyl)-2-[(2,4-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(butylthio)ethyl]-2-(2,4-dimethylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C20H28N2OS MolecularWeight: 344.51412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1=C(NC(=NC1=O)CC2=C(C=C(C=C2)C)C)C

Isomeric SMILES

CCCCSCCC1=C(NC(=NC1=O)CC2=C(C=C(C=C2)C)C)C

InChI

InChI=1S/C20H28N2OS/c1-5-6-10-24-11-9-18-16(4)21-19(22-20(18)23)13-17-8-7-14(2)12-15(17)3/h7-8,12H,5-6,9-11,13H2,1-4H3,(H,21,22,23)