2-butan-2-ylsulfanyl-5-methyl-6-phenethyl-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-5-methyl-6-phenethyl-1H-pyrimidin-4-one Openeye Name: 5-methyl-6-phenethyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-5-methyl-6-phenethyl-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-5-methyl-6-phenethyl-1H-pyrimidin-4-one Traditional Name: 5-methyl-6-phenethyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)CCC2=CC=CC=C2)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CCC2=CC=CC=C2)C

InChI

InChI=1S/C17H22N2OS/c1-4-12(2)21-17-18-15(13(3)16(20)19-17)11-10-14-8-6-5-7-9-14/h5-9,12H,4,10-11H2,1-3H3,(H,18,19,20)