2-butan-2-ylsulfanyl-6-(1-phenylpropyl)-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-6-(1-phenylpropyl)-1H-pyrimidin-4-one Openeye Name: 6-(1-phenylpropyl)-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-(1-phenylpropyl)-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-(1-phenylpropyl)-1H-pyrimidin-4-one Traditional Name: 6-(1-phenylpropyl)-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)C(CC)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2OS/c1-4-12(3)21-17-18-15(11-16(20)19-17)14(5-2)13-9-7-6-8-10-13/h6-12,14H,4-5H2,1-3H3,(H,18,19,20)