2-[(4-tert-butylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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