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

Systemtic Name: 2-butan-2-ylsulfanyl-6-phenethyl-1H-pyrimidin-4-one Openeye Name: 6-phenethyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-phenethyl-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-phenethyl-1H-pyrimidin-4-one Traditional Name: 6-phenethyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C16H20N2OS MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2OS/c1-3-12(2)20-16-17-14(11-15(19)18-16)10-9-13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,17,18,19)