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

Systemtic Name: 2-butylsulfanyl-5-[(2,5-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-butylsulfanyl-5-[(2,5-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(butylthio)-5-[(2,5-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-butylsulfanyl-5-[(2,5-dimethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(butylthio)-5-(2,5-dimethylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCSC1=NC(=O)C(=C(N1)C)CC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H24N2OS/c1-5-6-9-22-18-19-14(4)16(17(21)20-18)11-15-10-12(2)7-8-13(15)3/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,20,21)