2-[(2,5-dimethylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C16H20N2OS/c1-4-5-14-9-15(19)18-16(17-14)20-10-13-8-11(2)6-7-12(13)3/h6-9H,4-5,10H2,1-3H3,(H,17,18,19)