6-tert-butyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-tert-butyl-1H-pyrimidin-4-one CAS Name: 6-tert-butyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-6-tert-butyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-6-tert-butyl-1H-pyrimidin-4-one Formula: C15H18N2OS MolecularWeight: 274.38122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)SCC2=CC=CC=C2

InChI

InChI=1S/C15H18N2OS/c1-15(2,3)12-9-13(18)17-14(16-12)19-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,16,17,18)