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

Systemtic Name: 6-propyl-2-[(2,4,5-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-propyl-2-[(2,4,5-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-propyl-2-[(2,4,5-trimethylphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-propyl-2-[(2,4,5-trimethylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-propyl-2-[(2,4,5-trimethylbenzyl)thio]-1H-pyrimidin-4-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2OS/c1-5-6-15-9-16(20)19-17(18-15)21-10-14-8-12(3)11(2)7-13(14)4/h7-9H,5-6,10H2,1-4H3,(H,18,19,20)